MARQUES, PATRICE; VILLARROEL-VICENTE, CARLOS; COLLADO, AIDA; GARCÍA, AINHOA; VILA, LAURA; DUPLAN, ISABELLE; HENNUYER, NATHALIE; GARIBOTTO, FRANCISCO; ENRIZ, RICARDO D.; DACQUET, CATHERINE; STAELS, BART; PIQUERAS, LAURA; CORTES, DIEGO; SANZ, MARÍA-JESÚS; CABEDO, NURIA

Anti-inflammatory effects and improved metabolic derangements in ob/ob mice by a newly synthesized prenylated benzopyran with pan-PPAR activity

PHARMACOLOGICAL RESEARCH; Año: 2023 vol. 187

GUTIÉRREZ, LUCAS; MARCELA VETTORAZZI; JAKA DERNOV?EK; MARTINA DURCIK; LUCIJA PETERLIN MA?Ič; TIHOMIR TOMA?Ič; ENRIZ, RICARDO DANIEL

Computer-aided structure-based optimization of 4,5,6,7- tetrahydrobenzo[d]thiazole-2,6-diamine derivatives as DNA gyrase B inhibitors

NEW JOURNAL OF CHEMISTRY; Lugar: CAMBRIDGE; Año: 2023

RODOLFO PORASSO; SANCHO, MATIAS I.; MERCEDES PARAJO; LUIS GARCIA RIO; ENRIZ, RICARDO D.

Pseudorotaxane formation affected by stereo-electronic effects. A theoretical and experimental study

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2022 vol. 24 p. 1654 - 1665

HERRERA CANO, NATIVIDAD; ANDUJAR, SEBASTIAN A.; THEODULOZ, CRISTINA; WUNDERLIN, DANIEL A.; SANTIAGO, ANA N.; SCHMEDA-HIRSCHMANN, GUILLERMO; ENRIZ, RICARDO D.; FERESIN, GABRIELA E.

Arylated analogues of cypronazole: fungicidal effect and activity on human fibroblasts. Docking analysis and molecular dynamics simulations

Natural Products and Bioprospecting; Lugar: Ney York; Año: 2022 vol. 12

TOSSO, RODRIGO D.; ZARYCZ, M. NATALIA C.; SCHIEL, AYELÉN; GOICOECHEA MORO, LUISA; BALDONI, HÉCTOR A.; ANGELINA, EMILIO; ENRIZ, RICARDO D.

Evaluating the conformational space of the active site of D2 dopamine receptor. Scope and limitations of the standard docking methods

JOURNAL OF COMPUTATIONAL CHEMISTRY; Año: 2022 vol. 43 p. 1298 - 1312

ANDÚJAR, SEBASTIÁN A.; GUTIÉRREZ, LUCAS J.; ENRIZ, RICARDO D.; BALDONI, HÉCTOR A.

Structure, interface stability and hot-spots identification for RBD(SARS-CoV-2):hACE2 complex formation

MOLECULAR SIMULATION; Año: 2021 vol. 47 p. 1443 - 1454

LIMA, BEATRIZ; RICCI, MARIA; GARRO, ADRIANA; JUHÁSZ, TÜNDE; SZIGYÁRTÓ, IMOLA CSILLA; PAPP, ZITA I.; FERESIN, GABRIELA; GARCIA DE LA TORRE, JOSE; LOPEZ CASCALES, JAVIER; FÜLÖP, LÍVIA; BEKE-SOMFAI, TAMÁS; ENRIZ, RICARDO D.

New short cationic antibacterial peptides. Synthesis, biological activity and mechanism of action

BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES; Año: 2021 vol. 1863

PARRAVICINI, OSCAR; ANGELINA, EMILIO; SPINELLI, ROQUE; GARIBOTTO, FRANCISCO; SIANO, ÁLVARO S.; VILA, LAURA; CABEDO, NURIA; CORTES, DIEGO; ENRIZ, RICARDO D.

Design, synthesis, biological evaluation and molecular modelling of substituted pyrrolo[2,1-: A] isoquinolinone derivatives: Discovery of potent inhibitors of AChE and BChE

NEW JOURNAL OF CHEMISTRY; Año: 2021 vol. 45 p. 8321 - 8334

VEGA HISSI, ESTEBAN G.; DE COSTA GUARDAMAGNA, ANTONELLA B.; GARRO, ADRIANA D.; FALCON, CRISTIAN R.; ANDERLUH, MARKO; TOMA?I?, TIHOMIR; KIKELJ, DANIJEL; YANEFF, AGUSTÍN; DAVIO, CARLOS A.; ENRIZ, RICARDO D.; ZURITA., ADOLFO R.

A Potent N-(piperidin-4-yl)-1H-pyrrole-2-carboxamide Inhibitor of Adenylyl Cyclase of G. lamblia: Biological Evaluation and Molecular Modelling Studies

CHEMMEDCHEM; Lugar: Weinheim; Año: 2021

ZARYCZ, M. NATALIA C.; SCHIEL, M. AYELÉN; ANGELINA, EMILIO; ENRIZ, RICARDO D.

Covalence and π-electron delocalization influence on hydrogen bonds in proton transfer process of o-hydroxy aryl Schiff bases: A combined NMR and QTAIM analysis

JOURNAL OF CHEMICAL PHYSICS; Año: 2021 vol. 155

LAIOLO, JERÓNIMO; LANZA, PRISCILA AILIN; PARRAVICINI, OSCAR; BARBIERI, CECILIA; INSUASTY, DANIEL; COBO, JUSTO; VERA, D. MARIANO ADOLFO; ENRIZ, RICARDO DANIEL; CARPINELLA, MARIA CECILIA

Structure activity relationships and the binding mode of quinolinone-pyrimidine hybrids as reversal agents of multidrug resistance mediated by P-gp

Scientific Reports; Lugar: london; Año: 2021 vol. 11

MAGAR, PRATIBHA; PARRAVICINI, OSCAR; ST?PÁNKOVÁ, SÁRKA; SVR?KOVÁ, KATARINA; GARRO, ADRIANA D.; JENDRZEJEWSKA, IZABELA; PAUK, KAREL; HOEK, JAN; JAMPÍLEK, JOSEF; ENRIZ, RICARDO D.; IMRAMOVSKÝ, ALE

Novel sulfonamide-based carbamates as selective inhibitors of bche

International Journal of Molecular Sciences; Lugar: Basel; Año: 2021 vol. 22

EMAM, AYA M.; DAHAL, ACHYUT; SINGH, SITANSHU S.; TOSSO, RODRIGO D.; IBRAHIM, SAMY M.; EL-SADEK, MOHAMED; JOIS, SEETHARAMA D.; ENRIZ, RICARDO D.; KOTHAYER, HEND

Quinazoline-tethered hydrazone: A versatile scaffold toward dual anti-TB and EGFR inhibition activities in NSCLC

ARCHIV DER PHARMAZIE.; Año: 2021 vol. 354

GERMANÓ, M. J.; MUÑOZ, M. D.; DELLA-VEDOVA, M. C.; FERESIN, G. E.; RINALDI-TOSI, M.; ENRIZ, R. D.; RAMIREZ, D. C.; GIANNINI, F. A.

Anti-oxidant and anti-inflammatory effect of polar extracts obtained from waste product of wine making

NATURAL PRODUCT RESEARCH; Año: 2020 p. 1 - 5

ANDRAZ LAMUT1; ZIGA SKOK,; MICHAELA BARANCOKOVA; LUCAS GUTIERREZ; CRISTINA D CRUZ; PA¨ IVI TAMMELA; GABOR DRASKOVITS; PETER MOLEK; NACE ZIDAR; ANAMARIJA ZEGA; ENRIZ, RICARDO; DANIJEL KIKEL; TIHOMIR TOMA

Second generation 4,5,6,7-tetrahydrobenzo[d]thiazoles as novel DNA gyrase inhibitors

future medicinal chemistry; Año: 2020

FUSTER, M.G.; MONTALBÁN, M.G.; CARISSIMI, G.; LIMA, B.; FERESIN, G.E.; CANO, M.; GINER-CASARES, J.J.; LÓPEZ-CASCALES, J.J.; ENRIZ, R.D.; VÍLLORA, G.

Antibacterial effect of chitosan–gold nanoparticles and computational modeling of the interaction between chitosan and a lipid bilayer model

Nanomaterials; Año: 2020 vol. 10 p. 1 - 18

ROJAS, SEBASTIÁN; PARRAVICINI, OSCAR; VETTORAZZI, MARCELA; TOSSO, RODRIGO; GARRO, ADRIANA; GUTIÉRREZ, LUCAS; ANDÚJAR, SEBASTIÁN; ENRIZ, RICARDO

Combined MD/QTAIM techniques to evaluate ligand-receptor interactions. Scope and limitations

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Año: 2020 vol. 208

CARMONA-VIGLIANCO, FLORENCIA; ZARAGOZA-PUCHOL, DANIEL; PARRAVICINI, OSCAR; GARRO, ADRIANA; ENRIZ, RICARDO D.; FERESIN, GABRIELA E.; KURINA-SANZ, MARCELA; ORDEN, ALEJANDRO A.

Synthesis, biological evaluation and molecular modeling studies of substitutedN-benzyl-2-phenylethanamines as cholinesterase inhibitors

NEW JOURNAL OF CHEMISTRY; Año: 2020 vol. 44 p. 9466 - 9476

TOSSO, RODRIGO D.; PARRAVICINI, OSCAR; ZARYCZ, M. NATALIA C.; ANGELINA, EMILIO; VETTORAZZI, MARCELA; PERUCHENA, NÉLIDA; ANDUJAR, SEBASTIÁN; ENRIZ, RICARDO D.

Conformational and electronic study of dopamine interacting with the D2 dopamine receptor

JOURNAL OF COMPUTATIONAL CHEMISTRY; Año: 2020 vol. 41 p. 1898 - 1911

VETTORAZZI, MARCELA; INSUASTY, DANIEL; LIMA, SANTIAGO; GUTIÉRREZ, LUCAS; NOGUERAS, MANUEL; MARCHAL, ANTONIO; ABONIA, RODRIGO; ANDÚJAR, SEBASTIÁN; SPIEGEL, SARAH; COBO, JUSTO; ENRIZ, RICARDO D.

Design of new quinolin-2-one-pyrimidine hybrids as sphingosine kinases inhibitors

BIOORGANIC CHEMISTRY; Año: 2020 vol. 94

HUDCOVÁ, ANNA; KROUTIL, ALE?; KUBÍNOVÁ, RENATA; GARRO, ADRIANA D.; GUTIERREZ, LUCAS J.; ENRIZ, DANIEL; ORAVEC, MICHAL; CSÖLLEI, JOZEF

Arylaminopropanone derivatives as potential cholinesterase inhibitors: Synthesis, docking study and biological evaluation

MOLECULES; Lugar: Basel; Año: 2020 vol. 25

NEWTON, JASON; PALLADINO, ELISA N D; WEIGEL, CYNTHIA; MACEYKA, MICHAEL; GRÄLER, MARKUS H.; SENKAL, CAN E.; ENRIZ, RICARDO D.; MARVANOVA, PAVLINA; JAMPILEK, JOSEF; LIMA, SANTIAGO; MILSTIEN, SHELDON; SPIEGEL, SARAH

Targeting defective sphingosine kinase 1 in Niemann-Pick type C disease with an activator mitigates cholesterol accumulation

JOURNAL OF BIOLOGICAL CHEMISTRY (ONLINE); Año: 2020 vol. 295 p. 9121 - 9133

CAMPOS, LUDMILA E.; GARIBOTTO, FRANCISCO; ANGELINA, EMILIO; KOS, JIRI; GONEC, TOMAS; MARVANOVA, PAVLINA; VETTORAZZI, MARCELA; ORAVEC, MICHAL; JENDRZEJEWSKA, IZABELA; JAMPILEK, JOSEF; ALVAREZ, SERGIO E.; ENRIZ, RICARDO D.

Hydroxynaphthalenecarboxamides and substituted piperazinylpropandiols, two new series of BRAF inhibitors. A theoretical and experimental study

BIOORGANIC CHEMISTRY; Año: 2020 vol. 103

VETTORAZZI, MARCELA; VILA, LAURA; LIMA, SANTIAGO; ACOSTA, LINA; YÉPES, FELIPE; PALMA, ALIRIO; COBO, JUSTO; TENGLER, JAN; MALIK, IVAN; ALVAREZ, SERGIO; MARQUÉS, PATRICE; CABEDO, NURIA; SANZ, MARÍA J.; JAMPILEK, JOSEF; SPIEGEL, SARAH; ENRIZ, RICARDO D.

Synthesis and biological evaluation of sphingosine kinase 2 inhibitors with anti-inflammatory activity

ARCHIV DER PHARMAZIE.; Año: 2019 vol. 352

BERMEJO, ALMUDENA; COLLADO, AIDA; BARRACHINA, ISABEL; MARQUÉS, PATRICE; EL AOUAD, NOUREDDINE; FRANCK, XAVIER; GARIBOTTO, FRANCISCO; DACQUET, CATHERINE; CAIGNARD, DANIEL H.; SUVIRE, FERNANDO D.; ENRIZ, RICARDO D.; PIQUERAS, LAURA; FIGADÈRE, BRUNO; SANZ, MARÍA-JESÚS; CABEDO, NURIA; CORTES, DIEGO

Polycerasoidol, a Natural Prenylated Benzopyran with a Dual PPARα/PPARγ Agonist Activity and Anti-inflammatory Effect

JOURNAL OF NATURAL PRODUCTS; Lugar: Washington; Año: 2019 vol. 82 p. 1802 - 1812

AHUMADA-GUTIERREZ, H.; PEÑALVA, D.A.; ENRIZ, R.D.; ANTOLLINI, S.S.; CASCALES, J.J. LÓPEZ

Mechanical properties of bilayers containing sperm sphingomyelins and ceramides with very long-chain polyunsaturated fatty acids

CHEMISTRY AND PHYSICS OF LIPIDS; Año: 2019 vol. 218 p. 178 - 186

ANGEL, JORGE E.; ENRIZ, RICARDO D.; BALZA, KATHERINDEL C.; ANGEL, LIGIA B.; PERDOMO, LUÍS E.; RODRÍGUEZ, LUCIA CH.; DABIAN, AKRAM S.; DEL C. MIGLIORE, BIAGINA; RAMÍREZ, MARÍA M.; ORTEGA, JOSÉ G.; CHARRIS, JAIME E.; ISRAEL, ANITA.; DEL R. GARRIDO, MARÍA; LÓPEZ, SIMON E.; ROJAS, SEBASTIAN; ANDUJAR, SEBASTIAN A.

Quinoline analogs of 2-aminoindane as potential central dopaminergic agents

MEDICINAL CHEMISTRY RESEARCH; Año: 2019 vol. 28 p. 1168 - 1181

MUÑOZ, MARCOS D.; GUTIERREZ, LUCAS J.; DELIGNAT, SANDRINE; RUSSICK, JULES; GOMEZ MEJIBA, SANDRA E.; LACROIX-DESMAZES, SEBASTIEN; ENRIZ, RICARDO D.; RAMIREZ, DARIO C.

The nitrone spin trap 5,5‑dimethyl‑1‑pyrroline N‑oxide binds to toll-like receptor-2-TIR-BB-loop domain and dampens downstream inflammatory signaling

BIOCHIMICA ET BIOPHYSICA ACTA. MOLECULAR BASIS OF DISEASE; Año: 2019 vol. 1865 p. 1152 - 1159

CAMPOS, LUDMILA E.; GARIBOTTO, FRANCISCO M.; ANGELINA, EMILIO; KOS, JIRI; TOMA?I?, TIHOMIR; ZIDAR, NACE; KIKELJ, DANIJEL; GONEC, T.; MARVANOVA, PAVLINA; MOKRY, PETR; JAMPILEK, J.; ALVAREZ, SERGIO E.; ENRIZ, RICARDO D.

Searching new structural scaffolds for BRAF inhibitors. An integrative study using theoretical and experimental techniques

BIOORGANIC CHEMISTRY; Año: 2019 vol. 91

LARZÁBAL, MARIANO; BALDONI, HECTOR A.; SUVIRE, FERNANDO D.; CURTO, LUCRECIA M.; GOMEZ, GABRIELA E.; DA SILVA, WANDERSON MARQUES; GIUDICESSI, SILVANA L.; CAMPERI, SILVIA A.; DELFINO, JOSE M.; CATALDI, ANGEL A.; ENRIZ, DANIEL

An inhibitory mechanism of action of coiled-coil peptides against type three secretion system from enteropathogenic Escherichia coli

JOURNAL OF PEPTIDE SCIENCE : AN OFFICIAL PUBLICATION OF THE EUROPEAN PEPTIDE SOCIETY.; Año: 2019 vol. 25

GUTIÉRREZ, LUCAS J.; PARRAVICINI, OSCAR; SÁNCHEZ, EMILSE; RODRÍGUEZ, RICAURTE; COBO, JUSTO; ENRIZ, RICARDO D.

New substituted aminopyrimidine derivatives as BACE1 inhibitors: in silico design, synthesis and biological assays

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS; Año: 2018 p. 1 - 18

YÉPES, ANDRÉS FELIPE; BAHSAS, ALÍ; ESCOBAR, PATRICIA; COBO, JUSTO; PALMA, ALIRIO; GARRO MARTINEZ, JUAN C.; ENRIZ, RICARDO

Synthesis, anti-parasitic activity and QSAR study of a new library of polysubstituted tetrahydronaphtho[1,2-b]azepines

MEDICINAL CHEMISTRY RESEARCH; Año: 2018 vol. 27 p. 2239 - 2264

ORTIZ, JAVIER E.; GARRO, ADRIANA; PIGNI, NATALIA B.; AGÜERO, MARÍA BELÉN; ROITMAN, GERMAN; SLANIS, ALBERTO; ENRIZ, RICARDO D.; FERESIN, GABRIELA E.; BASTIDA, JAUME; TAPIA, ALEJANDRO

Cholinesterase-inhibitory effect and in silico analysis of alkaloids from bulbs of Hieronymiella species

PHYTOMEDICINE; Año: 2018 vol. 39 p. 66 - 74

FUNES, MATÍAS; GARRO, MARÍA F.; TOSSO, RODRIGO D.; MARIA, ALEJANDRA O.; SAAD, JOSÉ R.; ENRIZ, RICARDO D.

Antinociceptive effect of neo-clerodane diterpenes obtained from Baccharis flabellata

FITOTERAPIA; Año: 2018 vol. 130 p. 94 - 99

GERA, JÁNOS; SZÖGI, TITANILLA; BOZSÓ, ZSOLT; FÜLÖP, LIVIA; BARRERA, EXEQUIEL E.; RODRIGUEZ, ANA M.; MÉNDEZ, LUCIANA; DELPICCOLO, CARINA M.L.; MATA, ERNESTO G.; CIOFFI, FEDERICA; BROERSEN, KERENSA; PARAGI, GABOR; ENRIZ, RICARDO D.

Searching for improved mimetic peptides inhibitors preventing conformational transition of amyloid-β 42 monomer

BIOORGANIC CHEMISTRY; Año: 2018 vol. 81 p. 211 - 221

VETTORAZZI, MARCELA; MENÉNDEZ, CINTIA; GUTIÉRREZ, LUCAS; ANDUJAR, SEBASTIÁN; APPIGNANESI, GUSTAVO; ENRIZ, RICARDO D.

Theoretical models to predict the inhibitory effect of ligands of sphingosine kinase 1 using QTAIM calculations and hydrogen bond dynamic propensity analysis

J. COMPUT. AIDED MOL. RESIGN; Año: 2018 vol. 32 p. 781 - 791

DOLAB, JUAN G; LIMA, BEATRIZ; SPACZYNSKA, EWELINA; KOS, JIRI; CANO, NATIVIDAD H.; FERESIN, GABRIELA; TAPIA, ALEJANDRO; GARIBOTTO, FRANCISCO; PETENATTI, ELISA; OLIVELLA, MONICA; MUSIOL, ROBERT; JAMPILEK, JOSEF; ENRIZ, RICARDO D.

The antimicrobial activity of annona emarginata (Schltdl.) H. Rainer and most active isolated compounds against clinically important bacteria

MOLECULES; Año: 2018 vol. 23 p. 1187 - 1194

LÓPEZ CASCALES, JOSÉ JAVIER; ZENAK, SIHAM; GARCÍA DE LA TORRE, JOSÉ; LEZAMA, OSVALDO GUY; GARRO, ADRIANA; ENRIZ, RICARDO DANIEL

Small Cationic Peptides: Influence of Charge on Their Antimicrobial Activity

ACS Omega; Año: 2018 vol. 3 p. 5390 - 5398

ENRIZ, RICARDO D.; TOSSO, RODRIGO D.; ANDÚJAR, SEBASTIÁN A.; CABEDO, NURIA; CORTÉS, DIEGO; NOGUERAS, MANUEL; COBO, JUSTO; VARGAS, DIDIER F.; TRILLERAS, JORGE

Indole-substituted 2,4-diamino-5,8-dihydropyrido[2,3-d]pyrimidines from one-pot process and evaluation of their ability to bind dopamine receptors

TETRAHEDRON; Año: 2018 vol. 74 p. 7047 - 7057

GUTIERREZ, LUCAS J.; ANGELINA, EMILIO; GYEBROVSZKI, ANDREA; FÜLÖP, LÍVIA; PERUCHENA, NELIDA; BALDONI, HÉCTOR A.; PENKE, BOTOND; ENRIZ, RICARDO D.

New small-size peptides modulators of the exosite of BACE1 obtained from a structure-based design

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS; Año: 2017 vol. 35 p. 413 - 426

PADRTOVA, TEREZA; MARVANOVA, PAVLINA; ODEHNALOVA, KLARA; KUBINOVA, RENATA; PARRAVICINI, OSCAR; GARRO, ADRIANA; ENRIZ, RICARDO D.; HUMPA, OTAKAR; ORAVEC, MICHAL; MOKRY, PETR

Synthesis, analysis, cholinesterase-inhibiting activity and molecular modelling studies of 3-(dialkylamino)-2-hydroxypropyl 4-[(alkoxy-carbonyl)amino]benzoates and their quaternary ammonium salts

MOLECULES; Año: 2017 vol. 22

GARRO MARTINEZ, JUAN C.; ANDRADA, MATIAS F.; VEGA-HISSI, ESTEBAN G.; GARIBOTTO, FRANCISCO M.; NOGUERAS, MANUEL; RODRÍGUEZ, RICAURTE; COBO, JUSTO; ENRIZ, RICARDO D.; ESTRADA, MARIO R.

Dihydrofolate reductase inhibitors: a quantitative structure–activity relationship study using 2D-QSAR and 3D-QSAR methods

MEDICINAL CHEMISTRY RESEARCH; Año: 2017 vol. 26 p. 247 - 261

TOSSO, RODRIGO D.; VETTORAZZI, MARCELA; ANDUJAR, SEBASTIAN A.; GUTIERREZ, LUCAS J.; GARRO, JUAN C.; SUVIRE, FERNANDO D.; ENRIZ, RICARDO D.; TOSSO, RODRIGO D.; VETTORAZZI, MARCELA; ANDUJAR, SEBASTIAN A.; GUTIERREZ, LUCAS J.; GARRO, JUAN C.; SUVIRE, FERNANDO D.; ENRIZ, RICARDO D.; ANGELINA, EMILIO; RODRÍGUEZ, RICAURTE; RODRÍGUEZ, RICAURTE; NOGUERAS, MANUEL; COBO, JUSTO

The electronic density obtained from a QTAIM analysis used as molecular descriptor. A study performed in a new series of DHFR inhibitors

JOURNAL OF MOLECULAR STRUCTURE; Año: 2017 vol. 1134 p. 464 - 474

STIVALA, MARÍA GILDA; VILLECCO, MARGARITA BEATRIZ; ENRIZ, DANIEL; FERNÁNDEZ, PEDRO AREDES

Effect of Phenolic compounds on viability of wine spoilage Lactic Acid Bacteria. A structure-activity relationship study

AMERICAN SOCIETY FOR ENOLOGY AND VITICULTURE; Año: 2017 vol. 68 p. 228 - 233

VETTORAZZI, MARCELA; ANGELINA, EMILIO; LIMA, SANTIAGO; GONEC, TOMAS; OTEVREL, JAN; MARVANOVA, PAVLINA; PADRTOVA, TEREZA; MOKRY, PETR; BOBAL, PAVEL; ACOSTA, LINA M.; PALMA, ALIRIO; COBO, JUSTO; BOBALOVA, JANETTE; CSOLLEI, JOZEF; MALIK, IVAN; ALVAREZ, SERGIO; SPIEGEL, SARAH; JAMPILEK, JOSEF; ENRIZ, RICARDO D.

An integrative study to identify novel scaffolds for sphingosine kinase 1 inhibitors

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Año: 2017 vol. 139 p. 461 - 481

SIANO, ALVARO; GARIBOTTO, FRANCISCO F.; ANDUJAR, SEBASTIAN A.; BALDONI, HECTOR A.; TONARELLI, GEORGINA G.; ENRIZ, RICARDO D.

Molecular design and synthesis of novel peptides from amphibians skin acting as inhibitors of cholinesterase enzymes

JOURNAL OF PEPTIDE SCIENCE : AN OFFICIAL PUBLICATION OF THE EUROPEAN PEPTIDE SOCIETY.; Año: 2017 vol. 23 p. 236 - 244

PARRAVICINI, OSCAR; BOGADO, M. LUCRECIA; ROJAS, SEBASTIÁN; ANGELINA, EMILIO L.; ANDUJAR, SEBASTIÁN A.; GUTIERREZ, LUCAS J.; CABEDO, NURIA; SANZ, M. JESÚS; LÓPEZ-GRESA, M. PILAR; CORTES, DIEGO; ENRIZ, RICARDO D.

Tetrahydroisoquinolines functionalized with carbamates as selective ligands of D2 dopamine receptor

JOURNAL OF MOLECULAR MODELING - (Print); Año: 2017 vol. 23

ENRIZ R D; F SUVIRE; S. A. ANDUJAR, ; M. ALVAREZ; M VETTORAZZI; J. DOLAB; S. ROJAS

The long and winding road to convert an antimicrobial compound in an antimicrobial drug. An overview from a medicinal chemistry point of view.

CURRENT ORGANIC CHEMISTRY; Lugar: Oak Park; Año: 2016

LUCHI, ADRIANO M.; ANGELINA, EMILIO L.; ANDUJAR, SEBASTIÁN A.; ENRIZ, RICARDO D.; PERUCHENA, NÉLIDA M.

Halogen bonding in biological context: a computational study of D2 dopamine receptor

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY; Año: 2016 vol. 29 p. 645 - 655

PÁRRAGA, JAVIER; ANDUJAR, SEBASTIÁN A.; ROJAS, SEBASTIÁN; GUTIERREZ, LUCAS J.; EL AOUAD, NOUREDDINE; SANZ, M. JESÚS; ENRIZ, RICARDO D.; CABEDO, NURIA; CORTES, DIEGO

Dopaminergic isoquinolines with hexahydrocyclopenta[ ij ]-isoquinolines as D2-like selective ligands

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Año: 2016 vol. 122 p. 27 - 42

ALVAREZ M, JOFRE DM; E. PEREZ; F. MOHAMED; JURY AYUB; ENRIZ R D; F.GIANNINI

Studies of Acute and Chronic Toxicity of Commercial Herbicides with Glyphosate against Danio rerio

Journal of Environmental & Analytical Toxicology; Año: 2016 vol. 06

GUTIERREZ, LUCAS J.; BARRERA GUISASOLA, EXEQUIEL E.; PERUCHENA, NELIDA; ENRIZ, RICARDO D.

A QM/MM study of the molecular recognition site of bapineuzumab toward the amyloid-β peptide isoforms

MOLECULAR SIMULATION; Año: 2016 vol. 42 p. 196 - 207

EXEQUIEL BARRERA; L. GUTIERREZ; E. ANGELINA; S. ANDUJAR; A.M RODRIGUEZ; ENRIZ R.D.

Pentameric models as alternative molecular targets for the design of new antiaggregant agents

CURRENT PROTEIN AND PEPTIDE SCIENCE; Lugar: Oak Park; Año: 2016 vol. 17 p. 156 - 168

BARRERA GUISASOLA, EXEQUIEL E.; GUTIÉRREZ, LUCAS J.; SALCEDO, RODRIGO E.; GARIBOTTO, FRANCISCO M.; ANDUJAR, SEBASTIÁN A.; ENRIZ, RICARDO D.; RODRÍGUEZ, ANA M.

Conformational transition of Aβ42 inhibited by a mimetic peptide. A molecular modeling study using QM/MM calculations and QTAIM analysis

Computational and Theoretical Chemistry; Lugar: Amsterdam; Año: 2016 vol. 1080 p. 56 - 65

SANCHO, MATIAS I.; ANDUJAR, SEBASTIAN; PORASSO, RODOLFO D.; ENRIZ, RICARDO D.

Theoretical and Experimental Study of Inclusion Complexes of β-Cyclodextrins with Chalcone and 2′,4′-Dihydroxychalcone

JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2016 vol. 120 p. 3000 - 3011

PARRAVICINI, OSCAR; SOMLAI, CSABA; ANDUJAR, SEBASTIÁN A.; GARRO, ADRIANA D.; LIMA, BEATRIZ; TAPIA, ALEJANDRO; FERESIN, GABRIELA; PERCZEL, ANDRAS; TÓTH, GABOR; CASCALES, JAVIER LÓPEZ; RODRÍGUEZ, ANA M.; ENRIZ, RICARDO D.

Small Peptides Derived from Penetratin as Antibacterial Agents

ARCHIV DER PHARMAZIE.; Año: 2016 vol. 349 p. 242 - 251

ORTIZ, JAVIER E.; PIGNI, NATALIA B.; ANDUJAR, SEBASTIÁN A.; ROITMAN, GERMAN; SUVIRE, FERNANDO D.; ENRIZ, RICARDO D.; TAPIA, ALEJANDRO; BASTIDA, JAUME; FERESIN, GABRIELA E.

Alkaloids from Hippeastrum argentinum and Their Cholinesterase-Inhibitory Activities: An in Vitro and in Silico Study

JOURNAL OF NATURAL PRODUCTS; Año: 2016 vol. 79 p. 1241 - 1248

ENRIZ R D

The Eighth Central European Conference "Chemistry towards Biology": Snapshot

MOLECULES; Lugar: Basel; Año: 2016 vol. 21

E.BORKOWSKI; F,CECATTI; F.SUVIRE; D.RUIZ; C.ARDANAZ; G.ROMANELLI; ENRIZ R D

Mass spectrometry and theoretical calculations about the loss of Methyl radical from methoxilated coumarins

JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 2015 vol. 1093 p. 49 - 58

E.BARRERA; S.ANDUJAR; E. HUBIN; K.BORENSEN; I.KRAAN; L.MENDEZ; C.DELPICCOLO; M.MASMAN; A.M RODRIGUEZ; ENRIZ R D

New mimetic peptides inhibitors of beta amyloid; aggregation. Molecular guidance for rational drug design

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Lugar: Paris; Año: 2015 vol. 95 p. 136 - 152

L.GUTIERREZ; E.BARRERA; N.PERUCHENA; ENRIZ R.D.

A QM/MM study of the molecular recognition site of bapineuzumab toward the beta amyloid; peptide isoforms

MOLECULAR SIMULATION; Lugar: Londres; Año: 2015

M OLIVELLA; A. MARCHAL; M. NOGUERAS; M. MELGUIZO; B.LIMA; A. TAPIA; G FERESIN; O. PARRAVICCINI; F. GIANNINI, ; S. ANDUJAR; J. COBO; R D ENRIZ

A New Series of Antibacterial Nitrosopyrimidines: Synthesis and Structure-Activity Relationship

ARCHIV DER PHARMAZIE.; Lugar: Weinheim; Año: 2015 vol. 348 p. 60 - 80

E.BARRERA; L.GUTIERREZ; S.ANDUJAR; E. ANGELINA; A.M RODRIGUEZ; ENRIZ R D

Pentameric models as alternative molecular targets for the design of new antiaggregant agents

CURRENT PROTEIN AND PEPTIDE SCIENCE; Lugar: Oak Park; Año: 2015

E. ANGELINA; S ANDUJAR; L MORENO; F. GARIBOTTO; J PARRAGA; N PERUCHENA; N CABEDO; M VILLECO; D CORTES; R D ENRIZ

3-Chlorotyramine Acting as Ligand of the D2 Dopamine Receptor. Molecular Modeling, Synthesis and D2 Receptor Affinity

Molecular Informatics; Año: 2015 vol. 34 p. 28 - 43

E G VEGA-HISSI,[; R TOSSO; R D ENRIZ; L J GUTIERREZ

Molecular Insight into the Interaction Mechanisms of Amino-2H-Imidazole Derivatives With BACE1 Protease: A QM/MM and QTAIM Study

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Lugar: New York; Año: 2015 vol. 115 p. 389 - 397

D.M JOFRE; R D ENRIZ; M ALVAREZ; I GIMENEZ; M JOFRE; F GIANNINI

Acute and chronic toxicity of glyphosate to native fish from San Luis province, Argenine

Current Topics in Toxicology; Año: 2015 vol. 11 p. 49 - 54

J.J LOPEZ CASCALES; ADRIANA D GARRO; R.D.PORASSO; R. D. ENRIZ

The dynamic action mechanism of small cationic antimicrobial peptides

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2014 vol. 16 p. 21694 - 21705

E. ANGELINA; ANDUJAR S.; R TOSSO; ENRIZ R.D.; N. PERUCHENA

Non-covalent interactions in receptor-ligand complexes. A study based on the electron charge density

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY; Lugar: Londres; Año: 2014 vol. 27 p. 128 - 134

JOSE M DE LA TORRE; MANUEL NOGUERAS; EDUARDO J. BORKOWSKI; FERNANDO SUVIRE; RICARDO ENRIZ; JUSTO COBO

Easy synthesis of new series of pteridine analogs: di- and tetra- hydropyrimido[4,5-d]pyrimidines via 5-pyrimidinecarbaldehydes

ARKIVOC - ONLINE JOURNAL OF ORGANIC CHEMISTRY; Lugar: Florida; Año: 2014 vol. 24 p. 24 - 63

L.GUTIERREZ; S.ANDUJAR; ENRIZ R.D.; H.BALDONI

Structural and functional insights into the anti-BACE1 Fab fragment that recognizes the BACE1 exosite

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS; Año: 2014 vol. 32 p. 1421 - 1433

M.DERITA; I.MONTENEGRO; F.GARIBOTTO; R.D, ENRIZ; M. FRITIS; S.SACCHINO

Structural requirements for the antifungal activities of natural drimane sesquiterpenes and analogues, supported by conformational and electronic studies

MOLECULES; Lugar: Basel; Año: 2013 vol. 18 p. 2029 - 2050

M.DERITA; E. DEL OLMO; B.BARBOZA; A.GARCIA CARDENAS; J. LOPEZ PEREZ; S.ANDUJAR; ENRIZ R; S.SACCHINO; A.SAN FELICIANO

Synthesis, bioevaluation and structural study of substituted phthalazin-1(2H)-ones acting as antifungal agents

MOLECULES; Lugar: Basel; Año: 2013 vol. 18 p. 3479 - 3501

ADRIANA D GARRO; M. OLIVELLA; J. BOMBASARO; B. LIMA; A.TAPIA; G.FERESIN; A.PERCZEL; C.SOMLAI; B.PENKE; J.LOPEZ CASCALES; A M RODRIGUEZ; ENRIZ R.D.

Penetratin and Derivatives Acting as Antibacterial Agents

CHEMICAL BIOLOGY & DRUG DESIGN; Lugar: Londres; Año: 2013 vol. 82 p. 167 - 177

R. TOSSO; S. ANDUJAR; E,ANGELINA; R.RODRIGUEZ; M.NOGUERAS; H. BALDONI; F.SUVIRE; J.COBO; ENRIZ R.D.

A molecular Modeling Study of new inhibitors of Dihydrofolate Reductase. MD simulations, QM calculations and experimental corroboration

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Lugar: Washington; Año: 2013 vol. 53 p. 2018 - 2032

J. PARRAGA; N. CABEDO; S.ANDUJAR; L.PIQUERAS; L.MORENO; A.GALAN; E. ANGELINA; ENRIZ R.D.; M. IBARRA; M J.SANZ; D.CORTES

2,3,9- and 2,3,11-Trisubstituted Tetrahydroprotoberberines as D2Dopaminergic Ligands

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Lugar: Paris; Año: 2013 vol. 68 p. 150 - 166

EDGARDO SAAVEDRA; SENBASTIAN ANDUJAR; FERNANDO SUVIRE; MIGUEL ZAMORA; MONICA FREILE; RICARDO DANIEL ENRIZ

Multistep Conformational Interconversion Mechanism of Cyclododecane. A Simple and Fast Analysis Using Potential Energy Curves

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Lugar: New York; Año: 2012 vol. 112 p. 2382 - 2391

MARIA ALVAREZ; EDGARDO SAAVEDRA; MONICA OLIVELLA; FERNANDO SUVIRE; MIGUEL ZAMORA; RICARDO DANIEL ENRIZ

Theoretical study of the conformational energy hypersurface of cyclotrisarcosyl

CENTRAL EUROPEAN JOURNAL OF CHEMISTRY; Lugar: Varsovia; Año: 2012 vol. 10 p. 248 - 255

BORKOWSKI EDUARDO; ALVAREZ, MAR{IA; SUVIRE FERNANDO; ENRIZ RICARDO

?Correlation between experimental and DFT/GIAO computed 13C NMR chemical shifts of organic compounds. Effects of asymmetry?

Opena Natural Products Journal; Año: 2012 vol. 5 p. 1 - 6

MONICA OLIVELLA; A.MARCHAL; M.NOGUERAS; A.SANCHEZ; M.MELGUIZO; M.RAIMONDI; S.ZACCHINO; F.GIANNINI; J.COBO; ENRIZ R.D.

Structure-activity relationship study of nitrosopyrimidines acting as antifungal agents

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2012

LOANDOS M.; MURO A.; VILLECO M.; MASMAN M.; LUITEN P.; ANDUJAR S.; SUVIRE F.; ENRIZ R.

Catalytic and Molecular Properties of Rabbit Liver Carboxylesterase Acting on 1,8-Cineole Derivatives

NATURAL PRODUCT COMMUNICATIONS; Lugar: Westerville, Ohio; Año: 2012

S.ANDUJAR; F.LUGLI; S.HOFINGER; ENRIZ R; F.ZERBETTO

Amyloid-b fibril disruption by C60?molecular guidance for rational drug designw

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2012 vol. 14 p. 8599 - 8607

CSABA SOMLAI; CORRECHE ESTELA; OLIVELLA MONICA; TOLOSA LAIA; GOMEZ-LECHON MARÍA JOSÉ; DAMBI GYORGY; TOTH GABOR; BOTOND PENKE; ENRIZ R.D.

Synthesis and cytotoxic activity of 4-N-carboxybutyl-5-fluorocytosyl-Arg-Gln-Trp-Arg-Arg-Trp-Trp-Gln-Arg-NH2

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS; Lugar: Amsterdam; Año: 2012 vol. 22 p. 4233 - 4237

SEBASTIAN ANDUJAR; RODRIGO TOSSO; FERNANDO SUVIRE; EMILIO ANGELINA; NELIDA PERUCHENA; NURIA CABEDO; DIEGO CORTES; RICARDO DANIEL ENRIZ

Searching the biologically relevantConformation of Dopamine: A Computational Approach

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Lugar: Washington; Año: 2012 p. 99 - 112

LUCAS J GUTIERREZ; LAURA MASCOTTI; MARCELA KURINA; CARLOS PUNGITORES; RICARDO DANIEL ENRIZ; FERNANDO GIANNININ

Cinnamic Acid Derivatives acting as Antifungal Agents. A potential molecular target

NATURAL PRODUCT COMMUNICATIONS; Lugar: Westerville, Ohio; Año: 2012 vol. 7 p. 1639 - 1644

EDUARDO J. BORKOWSKI,; MARÍA A. ALVAREZ,; F. SUVIRE; RICARDO D ENRIZ

Correlation Between Experimental and DFT/GIAO Computed 13C NMR Chemical Shifts of Organic Compounds. Effects of Asymmetry

The Open Natural Products Journal; Año: 2012 vol. 5 p. 1 - 6

J.J LOPEZ CASCALES; S. D. OLIVEIRA COSTA,; A.D.GARRO; ENRIZ R.D.

Mechanical properties of binary DPPC/DPPS bilayers

RSC advances; Lugar: Sheffield; Año: 2012 vol. 2 p. 11743 - 11750

FRANCISCO M. GARIBOTTO; ADRIANA D. GARRO; ANA MARIA RODRIGUEZ; MARCELA RAIMONDO; SUSANA A. ZACCHINO; ANDRAS PERCZEL; CSABA SOMLAI; BOTOND PENKE; RICARDO DANIEL ENRIZ

Penetratin analogues acting as antifungal agents

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Lugar: Paris; Año: 2011 vol. 46 p. 370 - 377

MAXIMILIANO SORTINO; FRANCISCO GARIBOTTO; V. CECHINEL FILO; M. GUPTA; RICARDO DANIEL ENRIZ; SUSANA ZACCHINO

Antifungal, cytotoxic and SAR studies of a series of N-alkyl, N-aryl and N-alkylphenyl-1,4-pyrrolediones and related compounds

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2011 vol. 19 p. 2823 - 2824

ADRIANA D GARRO; FRANCISCO GARIBOTTO; ANA M. RODRIGUEZ; M. RAIMONDI; S. ZACCHINO; A. PERCZEL; C SOMLAI; B. PENKE; RICARDO DANIEL ENRIZ

New Small-Size Antifungal Peptides: Design, Synthesis and Antifungal Activity

LETTERS IN DRUG DESIGN & DISCOVERY; Lugar: Oak Park; Año: 2011 vol. 8 p. 562 - 567

JOSE BOMBASARO; D.T.BLESING; S.DIAZ; A.NESKE; F.D.SUVIRE; RICARDO DANIEL ENRIZ; A.M RODRIGUEZ

Theoretical and experimental study of the interactions of annonaceous acetogenins with artificial lipid bilayers

JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 2011 vol. 1003 p. 87 - 91

SEBASTIAN ANDUJAR; FERNANDO SUVIRE; INMACULADA BERENGER; NURIA CABEDO; PALOMA MARIN; LAURA MORENO; MARIA DOLORES IBORRA; DIEGO CORTES; RICARDO DANIEL ENRIZ

Tetrahydroisoquinolines acting as dopaminergic ligands. A molecular modeling study using MD simulations and QM calculations

JOURNAL OF MOLECULAR MODELING - (Print); Lugar: Berlin; Año: 2011

FRANCISCO GARIBOTTO; MAXIMILIANO SORTINO; VALDIMIR KOUZNETSOV; RICARDO DANIEL ENRIZ; SUSANA ZACCHINO

Synthesis and antifungal activity of N-aryl-N-benzylamines and of their homoallyl analogues

ARKIVOC - ONLINE JOURNAL OF ORGANIC CHEMISTRY; Lugar: Florida; Año: 2011 vol. 7 p. 149 - 161

MIGLIORE DE ANGEL; HERRERA CANO; S.ANDUJAR; C. ROSALES; V.HERNANDEZ; M.RAMIREZ; A.ISRAEL; SUAREZ ROCA; J CHARRIS; S.LOPEZ; J ORTEGA; ROBERTO ROSSI; A.SANTIAGO; RICARDO DANIEL ENRIZ; JORGE ANGEL GIO

Synthesis and Preliminary Pharmacological Evaluation of Methoxilated Indoles with Possible Dopaminergic Central Action

ACTA FARM. BONAERENSE; Lugar: Buenos Aires; Año: 2011 vol. 30 p. 1934 - 1942

GERMANO GARCIA; CRISTINA DEVIA; MIRTA MORALES; AMERICO JUAREZ; RICARDO ENRIZ; FERNANDO GIANNININ

ECOTOXICIDAD DE HERBICIDAS COMERCIALES FORMULADOS CON GLIFOSATO UTILIZANDO COMO MODELO EXPERIMENTAL Rinhella arenarum

Revista argentina de ecotoxicologia y contaminacion ambiental; Lugar: Lujan; Año: 2011 vol. 2 p. 37 - 46

F. GARIBOTTO, A. D. GARRO, C. SOMLAI, M.F.MASMAN, P.LUTIEN, S. A. ZACCHINO, A. M. RODRIGUEZ, B. PENKE AND R. D. ENRIZ

New small-size peptides possessing antifungal activity

BIOORGANIC & MEDICINAL CHEMISTRY.; Año: 2010

”. EXEQUIEL E. BARRERA GUISASOLA, MARCELO F. MASMAN, RICARDO D. ENRIZ AND ANA M. RODRÍGUEZ

Structure of Isolated Tyrosyl-Glycyl-Glycine Tripeptide. A comparative conformational study with peptides containing an aromatic ring

CENTRAL EUROPEAN JOURNAL OF CHEMISTRY; Año: 2010

EDUARDO J. BORKOWSKI; FERNANDO.D. SUVIRE; RICARDO D. ENRIZ

Correlation Between Experimental and DFT/GIAO Computed 13C NMR Chemical Shifts. A Theoretical Study on Pentacyclic Terpenoids (fernenes)

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2010 vol. 953 p. 83 - 90

MÓNICA S.OLIVELLA; ANA MARÍA RODRIGUEZ; SUSANA A. ZACCHINO; CSABA SOMLAI; BOTOND PENKE; VICTOR FARKAS; ANDRAS PERCZEL; RICARDO DANIEL ENRIZ

New antifungal peptides. Synthesis, bioassays and initial structure prediction by CD spectroscopy

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS; Lugar: Amsterdam; Año: 2010 vol. 20 p. 4808 - 4811

LUCAS J GUTIERREZ; RICARDO DANIEL ENRIZ; HECTRO A. BALDONI

Structural and Thermodynamic Characteristics of the Exosite Binding Pocket on the Human BACE1: A Molecular Modeling Approach

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Washington; Año: 2010 vol. 114 p. 10261 - 10269

RITA KURDELAS; BEATRIZ LIMA; ALEJANDRO TAPIA; GABRIELA FERESIN; MANUEL GONZALEZ SIERRA; MARIA VICTORIA RODRIGUEZ; SUSANA ZACCHINO; RICARDO DANIEL ENRIZ; MONICA L. FREILE

Antifungal Activity of Extracts and Prenylated Coumarins Isolated from Baccharis darwinii Hook & Arn. (Asteraceae)

MOLECULES; Lugar: Basel; Año: 2010 vol. 15 p. 4897 - 4907

INMACULADA BERENGUER NOUREDDINE EL AOUAD , SEBASTIÁN ANDUJAR, VANESSA ROMERO, FERNANDO SUVIRE, THOMAS FRERET , ALMUDENA BERMEJO, MARÍA DOLORES IVORRA , RICARDO D. ENRIZ, MICHEL BOULOUARD, NURIA CABEDO, DIEGO CORTES.

Tetrahydroisoquinolines as dopaminergic ligands: 1-Butyl-7-chloro-6-hydroxytetrahydroisoquinoline, a new compound with antidepressant-like activity in mice

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2009 vol. 17 p. 4968 - 4980

” L.J GUTIERREZ, H.A BALDONI, R.D.ENRIZ

Conformational and electronic study of cis-peptide (non-proline residues) ocurring in natutral proteins

JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 2009 vol. 934 p. 103 - 111

M.F.MASMAN, U. M. EISEL, I. CSIZMADIA, B. VISKOLZ, R.D.ENRIZ, B. PENKE, P. G.M. LUITE

Model peptides for Binding Studies on peptide-peptide Interactions: The Case of Amyloid beta (1-42) Aggregates

JOURNAL OF PHYSICAL CHEMISTRY B; Lugar: Washington; Año: 2009 vol. 113 p. 11710 - 11719

RODRIGO F. TOSSO, MIGUEL A. ZAMORA, FERNANDO D. SUVIRE, AND RICARDO D. ENRIZ

Ab Initio and DFT Study of the Conformational Energy Hypersurface of cyclic Gly-Gly-Gly

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: washington; Año: 2009 vol. 113 p. 10818 - 10825

NOUREDDINE EL AOUAD ; INMACULADA BERENGUER ; VANESA , ROMERO ; PALOMA MARÍN ; ÁNGEL SERRANO ; SEBASTIÁN ANDUJAR ; FERNANDO SUVIRE ; ALMUDENA BERMEJO ; M. DOLORES IVORRA ; RICARDO D. ENRIZ ; NURIA CABEDO ; DIEGO CORTES.

Structure-Activity Relationship of dopaminergic halogenated 1-benzyl tetrahydroisoquinoline derivatives

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Año: 2009 vol. 40 p. 4616 - 4621

M.F.MASMAN, A.M.RODRIGUEZ, M.RAIMONDI, S.A.ZACCHINO, P.G.LUITEN, C.SOMLAI, T. KORTEVELYESI, B.PENKE R.D.ENRIZ

Penetratin and Derivatives Actino as Antifungal Agents

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Lugar: Amsterdam; Año: 2009 vol. 44 p. 212 - 228

MASCOTTI, RICARDO D. ENRIZ AND FERNANDO A. GIANNINI

Acute Toxicity Study of Commercial Antifungal Drugs using Poecilia reticulata

ACTA FARM. BONAERENSE; Lugar: Buenos Aires; Año: 2008 vol. 27 p. 904 - 905

M.A.ZAMORA, F.SUVIRE R.D.ENRIZ

Ring Inversion in 1,4,7 Cyclononatriene and Analogues. Ab initio and DFT calculations and Topological Analysis

JOURNAL OF COMPUTATIONAL CHEMISTRY; Año: 2008 vol. 29 p. 280 - 290

V.V.KOUZNETSOV, L.Y.VARGAS, M.SORTINO, Y.VASQUEZ, M.P.GUPTA, M.FREILE, R.D.ENRIZ S. A.ZACCHINO

Antifungal and Cytotoxic Activities of some N-substituted Aniline Derivatives bearing a hetaryl fragment

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2008 vol. 16 p. 794 - 809

J.A.BOMBASARO, M.F.MASMAN, L.N. SANTAGATA, M.L.FREILE, A.M.RODRIGUEZ, R.D.ENRIZ.

A comprehensive Conformational Análisis of Bullacin B, a Potent Inhibitor of Complex 1. Molecular Dynamics Simulations and Ab initio Calculations

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Washington DC; Año: 2008 vol. 112 p. 7426 - 7428

A. BARAZARTE, J. CAMACHO, J. DOMÍNGUEZ, G. LOBO, N. GAMBOA, J. RODRIGUES, M. V. CAPPARELLI, A. ÁLVAREZ-LARENA, S. A. ANDUJAR, R.D.ENRIZ, J. CHARRIS.

Synthesis, antimalarial activity, structure–activity relationship analysis of thieno-[3,2-b]benzothiazine S,S-dioxide analogs

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2008 vol. 16 p. 3661 - 3674

E. CORRECHE, S.ANDUJAR, R.KURDELAS, M.J.GOMEZ LECHON, M.L.FREILE AND R.D.ENRIZ

Antioxidan and Cytotoxic Activity of Canadine. Biological Effects and Structural Aspects

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2008 vol. 16 p. 3641 - 3651

SEBASTIAN A. ANDUJAR, BIAGINA MIGLIORE DE ANGEL, JAIME E. CHARRIS, ANITA ISRAEL, HEBERTO SUÁREZ-ROCA, SIMON E. LÓPEZ, MARIA R. GARRIDO,CECIRE ROSALES. ELVIA CABRERA, FERNANDO D. SUVIRE, RICARDO D.ENRIZ. JORGE E. ANGEL-GUÍO.

Synthesis, Dopaminergic profile and Molecular Dynamics Calculations of N-Aralkyl substituted 2-aminoindans

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2008 vol. 16 p. 3233 - 3244

M.A.SORTINO,P.DELGADO,S.F.SUAREZ, J.QUIROGA, R.ABONÍA, B.INUSASTY, M.NOGUERAS, L.RODERO, F GARIBOTO, R.D.ENRIZ. S.A.ZACCHINO

Synthesis and Antifungal Activity of (Z)-5-Aryldenerhodanines

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2007 vol. 15 p. 484 - 494

I.BARRACHINA,I.ROYO,H.A.BALDONI, N. CHARBOUNE, F.SUVIRE, N.DEPEDRO,M.C.ZAFRA-POLO, A.BERMEJO, N.CABEDO, J.SAEZ.,J.TORMO, R.D.ENRIZ, D.CORTES

New Antitumoral Acetogenin “Guanacone type” Derivatives: Isolation and Bioactivity. Molecular Dynamics Simulation of Diacetyl-guanacone

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2007 vol. 15 p. 4369 - 4381

M.F.MASMAN, S. LOVAS, R M. MURPHY, R.D.ENRIZ, A.M.RODRIGUEZ

Conformational Preferences of N-acetyl-L-leucine-N-methylamide. Gas-Phase and Solution Calculations on the Model Dipeptide

JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2007 vol. 111 p. 10682 - 10691

F. BISOGNO,L. MASCOTI, C. SANCHEZ, F. GARIBOTTO, F. GIANNINI, M. KURINA, R.D.ENRIZ

Structure-Antifungal Activity Relationship of Related Cinnamic Acid Derivatives

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY; Año: 2007 vol. 55 p. 10635 - 10640

” F.D SUVIRE, M SORTINO, V.V. KOUZNETSOV, L.Y VARGAS, S ZACCHINO, R.D.ENRIZ

Structure-activity relationship study of homoallylamines and related derivatives acting as antifungal agents

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2006 vol. 14 p. 1851 - 1862

N. CABEDO, N EL AOUAD, I BERENGUER, M ZAMORA, M C. RAMIREZ DE ARELLANO, F SUVIRE, A. BERMEJO, D.ENRIZ AND D. CORTES

Efficient Synthesis and Structural Analysis of New Dioxopiperazine Isoquinolines

TETRAHEDRON; Lugar: Amsterdam; Año: 2006 vol. 62 p. 4408 - 4418

E.ROMANO,F.SUVIRE, M.E MANZUR, S.WESLER, R.D.ENRIZ AND M.A.A.MOLINA

Dielectric properties of Proline: hydration effect

JOURNAL OF MOLECULAR LIQUIDS; Lugar: Amsterdam; Año: 2006 vol. 126 p. 43 - 47

A.M.RODRIGUEZ, J.C.P:KOO, D. ROJAS, N.PERUCHENA AND R.D.ENRIZ

Conformational and electronic Study of N-acetyl.L-isoleucine-N-methylamide using DFT and IPCM calculations

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Lugar: New Jersey; Año: 2006 vol. 106 p. 1580 - 1595

MASMAN; A.M.RODRIGUEZ; L.SVETAZ; S.A.ZACHINO; C.SOMLAI; I.G.SCIZMADIA; B.PENKE; R.D.ENRIZ

Synthesis and Conformational analysis of His-Phe-Arg-Trp-NH2 and analogues with antifungal properties

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2006 vol. 14 p. 7604 - 7614

R.D.ENRIZ, M.E.MORALES,M.L.FREILE, H.A.BALDONI

Ab initio and DFT Search for conformational Transistion States of N-formyl-L-prolinamide

Journal of the Argentine Chemical Society; Lugar: Buenos Aires; Año: 2006 vol. 94 p. 49 - 65

R.D.ENRIZ, M.L.FEILE

Structure-Activity Relationship of Berberine and Derivatives Acting as Antifungal Compounds

Journal of the Argentine Chemical Society; Lugar: Buenos Aires; Año: 2006 vol. 94 p. 113 - 119

S.A ANDUJAR, F.M.GARIBOTO, B.MIGLIORE DE ANGEL, J.ANGEL GIO, J.E.CHARRIS, R.D.ENRIZ

Molecular Recognition and Binding mechanism of N-aralkyl substituted 2-aminoindans to the D2 dopamine receptor. A theoretical study.” (Review)

Journal of the Argentine Chemical Society; Lugar: Buenos Aires; Año: 2006 vol. 94 p. 1 - 18

”. FERNANDO D. SUVIRE, LUIS N. SANTAGATA, JOSÉ A. BOMBASARO AND RICARDO D. ENRIZ

Dynamics of Flexible Cycloalkanes. Ab initio and DFT Study of the Conformational Energy Hypersurface of Cyclononane

JOURNAL OF COMPUTATIONAL CHEMISTRY; Lugar: New Jersey; Año: 2006 vol. 27 p. 188 - 202

R.D.ENRIZ

Computational Medicinal Chemistry. The legacy of the past, the reality of the present and the hopes of the future”.

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2005 vol. 731 p. 163 - 172

S.N.LOPEZ, M.V.CASTELLI, F.ROGERIO CORREA, V.CECHINEL FILHO, R A.YUNES, M.A.ZAMORA, R.D.ENRIZ, J.C.RIBAS, S.A.ZACCHINO

In vitro antifungal properties, structure-activity relationships and studies on mode of action of N-phenyl, N-aryl, N-alkylphenyl maleimides and related compounds

ARZNEIMITTEL FORSCHUNG DRUG RESEARCH; Lugar: Aulendorf; Año: 2005 vol. 55 p. 123 - 132

R.D.ENRIZ, M.E. MORALES, H.A.BALDONI

Conformational Study of cis and trans N-formyl-N-methyl-L-glycine and N-acetyl-N-methyl-L-Glycine-N´-methylamide. An ab initio and DFT Study

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2005 vol. 731 p. 177 - 184

O. J. DONADEL, E. GUERREIRO†, A. O. MARÍA, G. WENDEL, R. D. ENRIZ, O. S.

Gastric cytoprotective activity of ilicic aldehyde. Structure-activity

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS; Lugar: Amsterdam; Año: 2005 vol. 15 p. 3547 - 3550

J.A.BOMBASARO. A.M.RODRIGUEZ AND R.D.ENRIZ

Comprehensive Conformational Analysis of N-acetyl-L-triptophane-Nmethylamide. An ab initio and DFT study

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2005 vol. 731 p. 177 - 185

M.A. ZAMORA, L.N.SANTAGATA, M.F MASMAN. J.A.BOMBASARO, M.L.FREILE, R.D.ENRIZ

Conformational study of internally retrograde and quasi-retrograde molecules. An ab initio and DFT study

CANADIAN JOURNAL OF CHEMISTRY; Año: 2005 vol. 83 p. 122 - 137

J.A. BOMBASARO, M.A.ZAMORA, H.A. BALDONI , R.D.ENRIZ

An exhaustive Conformational Analysis of N-acetyl-L-Cysteine-N-methylamide. Identification of the Complete set of Interconversio Pathway on the Ab initio and DFT Potential Energy Hypersurface

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Columbus; Año: 2005 vol. 109 p. 874 - 884

F.GIANNINI, M.L.FREILE, M.A.ZAMORA, A.JUAREZ,V.BALZARETTI R.D.ENRIZ

Antifungal activity and toxicity of berberine isolated from Berberis heteropyilla

ACTA FARM. BONAERENSE; Lugar: Buenos Aires; Año: 2005 vol. 25 p. 83 - 88

M.L.FREILE, S.RIZO, A. QUAQUERO, M.A.ZAMORA, R.D.ENRIZ

Ab initio Conformational Study of Vinylogues. 2-butene, Stilbene and their conjugated Polyenes

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2005 vol. 731 p. 107 - 114

F.A.GIANNINI, L.M.AIMAR, M.V.SORTINO, R.GOMEZ, A.STURNIOLLO, A.JUAREZ, S.ZACCHINO, R. H. DE ROSSI AND R.D.ENRIZ

In vitro-In vivo Antifungal Evaluation and Structure-Activity Relationsip of Thione Derivatives

IL FARMACO; EDIZIONE PRATICA.; Lugar: Amsterdam; Año: 2004 vol. 59 p. 245 - 254

E.R.CORRECHE, R.D.ENRIZ, M PIOVANO, J GARBARINO AND M.J GOMEZ-LECHON

Cytotoxic and apoptotic effects on hepatocytes of secondary metabolites obtained from lichens

Alternatives To Laboratory Animals; Lugar: Amsterdam; Año: 2004 vol. 32 p. 605 - 615

L. VARGAS; M.V CASTELLI; V. KOUZNETSOV; J URBINA; S.LOPEZ; M. SORTINO; R D ENRIZ; J C RIBAS; S ZACCHINO

In Vitro Antifungal Activity of New Series of Homoallylamines and Related Compounds with Inhibitory Properties of the Synthesis of Fungal Cell Wall Polymers

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2003 vol. 11 p. 1531 - 1550

L.KÁROLYHÁZY; M.L FREILE; M.ANWAIR; G.BEKE; F.GIANNINI; M.CASTELLI; M.SORTINO; J.RIBAS; S.ZACCHINO; P.MATYUS; ENRIZ R D

Synthesis, in vitro/in vivo Antifungal Evaluation and Structure-Activity Relationship Study of 3(2H) Pyridazinones

ARZNEIMITTEL FORSCHUNG DRUG RESEARCH; Año: 2003 vol. 53 p. 738 - 743

M.A.ZAMORA; M. MASMAN; J.BOMBASARO; M.L FREILE; S.LOPEZ; V.CECHINEL FILHO; S.ZACCHINO; ENRIZ R.D.

Conformational and electronic study of N-phenylalkyl-3,4-dichloro-maleimides. An ab-initio and DFT study

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Lugar: New York; Año: 2003 vol. 93 p. 32 - 46

M.CECI; M.LOPEZ VERRILLI; S.VALCANERAS; J.A.BOMBASARO; A.M RODRIGUEZ; B. PENKE; ENRIZ R.D.

Exploratory conformational analysis of N-acetyl-L-Tryptophan-N-methylamide. An ab initio study

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2003 vol. 631 p. 277 - 290

M, KLIPFEL; M.A.ZAMORA; A.M RODRIGUEZ; N FIDANZA; ENRIZ R.D.; I.G. CSIZMADIA

Exploration of the Full Conformational Space of N-Acetyl-L-glutamine-N-methylamide. An ab Initio and Density Functional Theory Study

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Washington; Año: 2003 vol. 107 p. 5079 - 5091

F.CALAZA; M.RIGO; A.RINALDONI; M.F.MASMAN; J KOO; A.M.RODRIGUEZ; ENRIZ R.D.

Comprehensive conformational analysis of N-acetyl-L-isoleucine-N-methylamide: an ab initio study

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2003 vol. 634 p. 201 - 213

M.L.FREILE; F. GIANNINI,; G.PUCCI; A.STURNIOLO; L.RODERO; O.PUCCI; V,BALZARETTI; ENRIZ R.D.

Antimicrobial activity of aqueous extracts and of berberine isolated from Berberis heterophylla

FITOTERAPIA; Lugar: Amsterdam; Año: 2003 vol. 74 p. 702 - 705

G.ZAMARBIDE; M.ESTRADA; M.A.ZAMORA; L.TORDAY; ENRIZ R.D.; F.TOMAS VERT; I.G. CSIZMADIA

An ab initio conformational study on captopril

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2003 vol. 666 p. 599 - 608

F.D.SUVIRE; I.ANDREU; A. BERMEJO; M.A.ZAMORA; D.CORTES; ENRIZ R.D.

Conformational study of N-alkyl-benzyltetrahydroisoquinolines alkaloid

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2003 vol. 666 p. 109 - 116

S.VILLAGRA; M.VERNINI; A.M RODRIGUEZ; S.ZACCHINO; V.KOUZNETSOV; ENRIZ R.D.

Conformational and electronic study of homoallylamines with inhibitory properties against polymers of fungal cell wall

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2003 vol. 666 p. 587 - 598

F.D.SUVIRE; N.CABEDO; A.CHAGRAOUI; M.A.ZAMORA; D.CORTES; ENRIZ R.D.

Molecular recognition and binding mechanism of N-alkylbenzyltetrahydroisoquinolines to the D1 dopamine receptor. A computational approach

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2003 vol. 666 p. 455 - 467

E.CORRECHE; M.CARRASCO; F.GIANNINI; M.PIOVANO; J.GARBARINO; ENRIZ R D

Cytotoxic screening activity of secondary lichen metabolites

ACTA FARM. BONAERENSE; Lugar: Buenos Aires; Año: 2002 vol. 21 p. 273 - 278

M.A.ZAMORA; H.A.BALDONI; A.M RODRIGUEZ; ENRIZ R.D.; C.SOSA; A.PERCZEL; A.KUCSMAN; O.FARKAS; A.DERETEY; J. VANK; I.G. CSIZMADIA

Peptide model XXVIII: An exploratory ab initio and density functional study on the side-chain? backbone interaction in N-acetyl-L-cysteine- N-methylamide and N-formyl-L-cysteinamide in their L-backbone conformations

CANADIAN JOURNAL OF CHEMISTRY; Lugar: Otawa; Año: 2002 vol. 80 p. 832 - 844

M.F MASMAN.; M.A.ZAMORA; A.M RODRIGUEZ; N.G.FIDANZA; N.PERUCHENA; ENRIZ R.D.; I.G. CSIZMADIA

Exploration of the full conformational space of N-acetyl-L-glutamate-N-methylamide

EUROPEAN JOURNAL OF PHYSICS; Lugar: Londres; Año: 2002 vol. 20 p. 531 - 542

A. BERMEJO; I.ANDREU; F.D.SUVIRE; S.LEONCE; D,CAIGNARD; P.RENARD; A.PIERRE; ENRIZ R.D.; D.CORTES; N.CABEDO

Syntheses and Antitumor Targeting G1 Phase of the Cell Cycle of Benzoyldihydroisoquinolines and Related 1-Substituted Isoquinolines

JOURNAL OF MEDICINAL CHEMISTRY; Lugar: Washington; Año: 2002 vol. 45 p. 5058 - 5068

J.KOO; J.LAM; S SALPIETRO; G. CHASSE; ENRIZ R.D.; L.TORDAY; A.VARRO; J,GY PAPP

How reliable could economic Hartree?Fock computations be in studying large, folded peptides? A comparative HF and DFT case study on N- and C-protected aspartic acid

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2002 vol. 619 p. 143 - 194

M MANZUR; E.ROMANO; S.VALLEJO; S.WESLER; F.D.SUVIRE; ENRIZ R.D.; M.A.MOLINA

Here we report the synthesis, in vitro antifungal evaluation and SAR study of 41 chalcones and analogues. In addition, all active structures were tested for their capacity of inhibiting Saccharomyces cerevisiae b(1,3)-glucan synthase and chitin synthase,

JOURNAL OF MOLECULAR LIQUIDS; Lugar: Amsterdam; Año: 2001 vol. 94 p. 87 - 96

S.LOPEZ; M.CASTELLI; S.ZACCHINO; J.DOMINGUEZ; G.LOBO; J. CHARRIS CHARRIS; J.CORTÉS; J.RIBAS; C,DEVIA; A.M RODRIGUEZ; ENRIZ R.D.

In Vitro Antifungal Evaluation and Structure?Activity Relationships of a New Series of Chalcone Derivatives and Synthetic Analogues, with Inhibitory Properties Against Polymers of the Fungal Cell Wall

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2001 vol. 9 p. 1999 - 2013

A.TARDITTI; M.KLIPFEL; A.M.RODRIGUEZ; F.D.SUVIRE; G.CHASSE; O.FARKAS; A.PERCZEL; ENRIZ R.D.

An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-l-glutamine-N-methylamide

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2001 vol. 545 p. 29 - 47

M ZAMORA; H.A.BALDONI; J. BOMBASARO; M.MAK; A PERCZEL; O.FARKAS; ENRIZ R.D.

An exploratory ab initio study of the full conformational space of N-acetyl-L-cysteine-N-methylamide

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2001 vol. 540 p. 257 - 270

M.BARROSO; N. CERUTI; A.M.RODRIGUEZ; E.A.JAUREGUI; O.FARKAS; A.PERCZEL; ENRIZ R.D.

Side-chain conformations for selected backbone conformations of N-acetyl-l-isoleucine-N-methylamide and N-acetyl-l-nor-isoleucine-N-methylamide. An exploratory ab initio study

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2001 vol. 548 p. 21 - 37

M MASMAN; M.AMAYA; A.M.RODRIGUEZ; F.D.SUVIRE; G.CHASSE; O.FARKAS; A.PERCZEL; ENRIZ R.D.

An exploratory study of side- chai

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2001 vol. 543 p. 203 - 222

F.D.SUVIRE; M MAK; J GY PAPP; ENRIZ R.D.

Binding mechanism of RGD and its mimetics to receptor GPIIb/IIIa. A theoretical study

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2001 vol. 540 p. 271 - 283

N.FIDANZA; F.D.SUVIRE; G.L.SOSA; R.M LOBAYAN; ENRIZ R.D.; N.PERUCHENA

A search for C?H⋯O type hydrogen bonds in Lamivudine (3TC). An exploratory conformational and electronic analysis

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2001 vol. 543 p. 185 - 193

L.N.SANTAGATA; F:D.SUVIRE; ENRIZ R.D.

Partially relaxed ring closure conditions for geometrical algorithm to search the conformational space for minimum energy conformations

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2001 vol. 536 p. 173 - 188

G.CHASSE; A.M RODRIGUEZ; M.L.MAK; E.DERETEY; A.PERCZEL; C.SOSA; ENRIZ R.D.; I.G. CSIZMADIA

Peptide and protein folding

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2001 vol. 537 p. 319 - 361

M.ZAMORA; A.M.RODRIGUEZ; F.D.SUVIRE; E.A.JAUREGUI; F.TOMAS VERT; ENRIZ R.D.

1,2-Dipolar addition model for the cytoprotective activity of selected a,b-unsaturated compounds with CyO functionality: an ab initio study

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2001 vol. 538 p. 225 - 233

N FIDANZA; M. ZAMORA; F. SUVIRE; G.SOSA; R.LOBAYAN; ENRIZ R D; N.PERUCHENA

Estudio Conformacional y electronico de lamivudina (3TC)

FACENA; Lugar: Corrientes; Año: 2001 vol. 17 p. 79 - 86

S. VILLAGRA; M.SANTILLAN; A.M.RODRIGUEZ; G.CHASSE; M FREILE; S.ZACCHINO; P.MATYUS; ENRIZ R.D.

Dynamic chirality in selected diaryl methane containing drugs. An exploratory ab initio conformational study

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2001 vol. 549 p. 217 - 228

S.LOPEZ; M. ROSALES; C.CANELON; E.A VALVERDE; ROSA NARVAEZ; J.CHARRIS; F.GIANNINI; ENRIZ R D; M.CARRASCO; S.ZACCHINO

Synthesis and preliminar cytotoxic and antifungal evaluation of some 6-N,n-dialkyl 2-aryl-4(3H)-quinazolinone derivatives

HETEROCYCLIC COMMUNICATIONS; Lugar: London; Año: 2001 vol. 5 p. 473 - 481

M.FREILE; M.F MASMAN. ; F.D.SUVIRE; S.ZACCHINO; V. BALZARETTI; ENRIZ R.D.

Aromatization within the putative bio-medical action mechanism of berberine and related cationic alkaloids with double iso-quinolinoid skeleton. A theoretical study

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2001 vol. 546 p. 243 - 260

L.N SANTAGATA; F.D.SUVIRE; ENRIZ R.D.

A matrix representation for the geometrical algorithm to search the conformational space (GASCOS) for flexible linear molecules

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2001 vol. 571 p. 91 - 98

J.URBINA; J.CORTÉS; A.PALMA; S.LOPEZ; S.ZACCHINO; ENRIZ R.D.; J.RIBAS; V. KOUSNETZOV

Inhibitors of the Fungal Cell Wall. Synthesis of 4-Aryl-4-N-arylamine-1-butenes and Related Compounds with Inhibitory Activities on (1±3) Glucan and Chitin Synthases

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2000 vol. 8 p. 691 - 698

S.J.SALPIETRO; A.PERCZEL; O.FARKAS; ENRIZ R.D.; I.G. CSIZMADIA

Peptide models XXV. Side-chain conformational potential energy surface, E ˆ E…x1;x2† of N-formyl-l-aspartic acidamide and its conjugate base N-formyl-l-aspartatamide in their gl backbone conformations

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2000 vol. 497 p. 39 - 63

J.CHARRIS; J.DOMINGUEZ; M.CORDERO; L.ORFILA; F.RIGGIONE; S.LOPEZ; ENRIZ R D; F.SUVIRE

Synthesis of 3-amino-2-ethoxycarbonyl Pyrido [1,2-a]Thieno-[2,3-d]-4-pyrimidone derivatives and their antimalarial and Cytotoxic activities in vitro

HETEROCYCLIC COMMUNICATIONS; Año: 2000 vol. 6 p. 571 - 578

ENRIZ R.D.; H.A.BALDONI; M.ZAMORA; E.A.JAUREGUI; M.E.SOSA; C.TONN; J.LUCO; M.GORDALIZA

Structure-Antifeedant Activity Relationship of Clerodane Diterpenoids. Comparative Study with Withanolides and Azadirachtin

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY; Lugar: Washington; Año: 2000 vol. 48 p. 1384 - 1392

L.TORDAY; B.PENKE; G.ZAMARBIDE; ENRIZ R.D.; J.GY PAP

An exploratory conformational analysis of 3-mercapto-propanamide and 2-methyl-3-mercapto-propanamide as well as their S-deprotonated conjugate basis: an ab initio study

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2000 vol. 528 p. 307 - 317

L.N SANTAGATA; F.D.SUVIRE; ENRIZ R.D.

An analytic ring closure condition for geometrical algorithm to search the conformational space

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2000 vol. 507 p. 89 - 95

H.A.BALDONI; G.ZAMARBIDE; E.A.JAUREGUI; O FARKAS; A. PERCZEL; S SALPIETRO; ENRIZ R.D.

Peptide models XXIX. cis?trans Isomerism of peptide bonds: ab initio study on small peptide model compound; the 3D-Ramachandran map of formylglycinamide

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2000 vol. 500 p. 97 - 111

M. L.MAK; S. SALPIETRO; ENRIZ R D; I G CSIZAMDIA

An exploratory ab initio study on the conformations of ethylguanidine in its neutral [CH3-CH2-NH-C(=NH)NH2] and protonated [CH3-CH2-NH-C(NH2)+] forms

CANADIAN JOURNAL OF CHEMISTRY; Lugar: Otawa; Año: 2000 vol. 78 p. 626 - 641

A.M RODRIGUEZ; F. GIANNINI,; F.D.SUVIRE; H.A.BALDONI; R. FURLAN; S.ZACCHINO; G.BEKE; P.MATYUS; ENRIZ R.D.; I.G. CSIZMADIA

Correlation of antifungal activity of selected a-substituted acetophenones with their keto?enol tautomerization energy

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2000 vol. 504 p. 35 - 50

E.CHUFAN; F.SUVIRE; ENRIZ R.D.; J.PEDEREGOSA

A potentiometric and spectrophotometric study on acid?base equilibria in ethanol-aqueous solution of acetazolamide and related compounds

TALANTA; Lugar: Amsterdam; Año: 1999 vol. 49 p. 859 - 868

S. ZACCHINO; S.LOPEZ; G.PEZENATTI; R.FURLAN; C.SANTECCHIA; L.MUÑOZ; F. GIANNINI,; A M RODRIGUEZ; ENRIZ R.D.

In Vitro Evaluation of Antifungal Properties of Phenylpropanoids and Related Compounds Acting Against Dermatophytes

JOURNAL OF NATURAL PRODUCTS; Lugar: Washington; Año: 1999 vol. 62 p. 1353 - 1357

A.M RODRIGUEZ; F. GIANNINI,; H. BALDONI; F.SUVIRE; S.ZACCHINO; ENRIZ R.D.; PAL CSASZAR; I.G. CSIZMADIA

Exploratory molecular orbital calculations on the keto and enol forms of selected antifungals and those of side-chain substituted acetophenone model compounds

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1999 vol. 463 p. 283 - 303

A.M RODRIGUEZ; F. GIANNINI,; H.A.BALDONI; L.N SANTAGATA; M.ZAMORA; S. ZACCHINO; C.SOSA; ENRIZ R.D.

Conformational potential energy curves of acetophenone and a-substituted acetophenones

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1999 vol. 463 p. 271 - 281

L.N SANTAGATA; F.D.SUVIRE; ENRIZ R.D.; L.TORDAY; I G CSIZAMDIA

A geometrical algorithm to search the conformational space (GASCOS) of flexible molecules

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1999 vol. 465 p. 33 - 67

H.A.BALDONI; ENRIZ R.D.; I.G. CSIZMADIA

Quantitative multidimensional conformational analysis of azadirachtin

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1999 vol. 463 p. 251 - 270

H.A.BALDONI; A M RODRIGUEZ; G.ZAMARBIDE; ENRIZ R.D.; O.FARKAS; L.TORDAY; C.SOSA; I.JAKLI; A. PERCZEL; M.HOLLOSI; I.G.CSIZMADIA

Peptide models XXIV: An ab initio study on N-formyl-L-prolinamide with trans peptide bond. The existence or non-existence of aL and e L conformations

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1999 vol. 465 p. 465 - 479

ENRIZ R D; A.M RODRIGUEZ; E.A.JAUREGUI

Estudio de la Relación estructura-actividad citoprotectiva gástrica en lactonas sesquiterpénicas y derivados

ACTA FARM. BONAERENSE; Lugar: Buenos Aires; Año: 1998 vol. 17 p. 41 - 52

E CORRECHE; M. CARRASCO; M. ESCUDERO; L.VELAZQUEZ; A.M S DE GUZMAN; F.GIANNINI; ENRIZ R D; E.A.JAUREGUI; J.SEÑAL; O.GIORDANO

Study of the Cytotoxic effect and the antimicrobial activity of usnic acid and derivatives

FITOTERAPIA; Lugar: Amsterdam; Año: 1998 vol. 69 p. 493 - 502

A M RODRIGUEZ; H.A.BALDONI; F.D.SUVIRE; G.ZAMARBIDE; R D ENRIZ; O. FARKAS; A. PERCZEL; I.G. CSIZMADIA

Characteristics of Ramachandran maps of l-alanine diamides as computed by various molecular mechanics, semiempirical and ab initio MO methods. A search for primary standard of peptide conformational stability

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1998 vol. 455 p. 275 - 301

S ZACCHINO; G.RODRIGUEZ; K. SANTECCHIA; G.PEZENATTI; F. GIANNINNI; ENRIZ R.D.

In vitro studies on mode of action of antifungal 8.O.4'-neolignans ocurring in certain species of Virola and related genera of Myristicacea

JOURNAL OF ETHNOPHARMACOLOGY; Lugar: Amsterdam; Año: 1998 vol. 62 p. 35 - 41

H.BALDONI; ENRIZ R.D.; E JAUREGUI; I. CSIZMADIA

Theoretical Study on the Conformations of 3 Tigloyl Azadirachtol and Azadirachtin Derivatives

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1997 vol. 391 p. 27 - 38

A.M RODRIGUEZ; ENRIZ R.D.; L.N SANTAGATA; E.A.JAUREGUI; M. PESTCHANKER; O. GIORDANO

Structure Cytoprotective Activity Relationship of Simple Molecules Containing an alpha, beta - Unsaturated Carbonyl System

JOURNAL OF MEDICINAL CHEMISTRY; Lugar: Washington; Año: 1997 vol. 40 p. 1827 - 1834

S ZACCHINO; G.RODRIGUEZ; G.PEZENATTI; G.ORELLANA; ENRIZ R.D.; M.GONZALEZ SIERRA

In Vitro Evaluation of Antifungal Properties of neolignans-8.O.4

JOURNAL OF NATURAL PRODUCTS; Lugar: Washington; Año: 1997 vol. 60 p. 659 - 662

F GIANNINI; A.M.RODRIGUEZ; ENRIZ R D; G.PEZZENATTI; S.ZACCHINO

Analisis conformacional y electronico de neolignanos 8.O.4' a traves de calculos teoricos

Journal of the Argentine Chemical Society; Lugar: Buenos Aires; Año: 1997 vol. 85 p. 129 - 140

L.N SANTAGATA; J.M. LUCO; ENRIZ R D

Analytical Aproximation to the Accessible Surface Area as a Topological Parameter

Journal of the Argentine Chemical Society; Lugar: Buenos Aires; Año: 1996 vol. 84 p. 573 - 584

H. BALDONI; ENRIZ R.D.; E.JAUREGUI; I. CSIZMADIA

Theoretical Study of Azadarachtin and Derivatives

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1996 vol. 383 p. 167 - 178

F SUVIRE; ENRIZ R D; E.A.JAUREGUI

Estudio comparativo de metodos de calculo empleados en el analisis conformacional de moleculas de interes farmacologico

ACTA FARM. BONAERENSE; Lugar: Buenos Aires; Año: 1995 vol. 14 p. 237 - 247

E.GUERREIRO; M.PESTCHANKER; E.GARCIA; ENRIZ R D; A.M RODRIGUEZ; A.MARIA; G WENDEL

Cytoprotective Activity of Minor Constituents of Artemisia Douglasiana

NATURAL PRODUCT RESEARCH; Lugar: Londres; Año: 1995 vol. 6 p. 269 - 280

R D ENRIZ; E.A.JAUREGUI; F.TOMAS VERT

Calculation of tautomer Preferences for Rigid Imidazole Derivatives

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1994 vol. 306 p. 115 - 122

A.M RODRIGUEZ; ENRIZ R D; E.A.JAUREGUI; M.J. PESTCHANKER; O.S.GIORDANO; J.GUZMAN; E.SAN FABIAN

Structure activity relationhip in the cytoprotective effect of limonene and derivatives

Journal of the Argentine Chemical Society; Lugar: Buenos Aires; Año: 1994 vol. 82 p. 399 - 414

ENRIZ R D; A.M RODRIGUEZ; E.A.JAUREGUI; M.J. PESTCHANKER; O. GIORDANO; J. GUZMAN

Structure activity relationship in the cytoprotective effect of helenalin and related compounds

Drug Design and Discovery; Año: 1994 vol. 11 p. 23 - 28

ENRIZ R.D.; H. BALDONI; E.JAUREGUI; M. SOSA; C.TONN; O. GIORDANO

Structure Activity Relationship of Clerodane Diterpenoids Acting as Antifeedant Agents

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY; Lugar: Washington; Año: 1994 vol. 42 p. 2958 - 2963

R D ENRIZ; M.R.ESTRADA; E.A.JAUREGUI; C.A.PONCE; F. TOMAS VERT

Theoretical study of selective H3 receptor antagonists of histamine

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1993 vol. 280 p. 5 - 15

ENRIZ R D; E, SAN FABIAN; F MOSCARDO LLORENZ; E.A.JAUREGUI

Estudio teorico de derivados guanidinotiazolicos

Journal of the Argentine Chemical Society; Lugar: Buenos Aires; Año: 1993 vol. 81 p. 431 - 440

O.GIORDANO; M.PESTCHANKER; E.GUERREIRO; J.SAAD; ENRIZ R.D.; A.M RODRIGUEZ; E.A.JAUREGUI

Structure activity relationship in the gastric cytoprotective effect of several sesquiterpene lactones

JOURNAL OF MEDICINAL CHEMISTRY; Lugar: Washington; Año: 1992 vol. 32 p. 2452 - 2458

G.M.CIUFFO; A.M.RODRIGUEZ; ENRIZ R D; E.A.JAUREGUI

Theoretical study of ibotenic acid analogues, acting on exitatory amino acid receptors

Journal of the Argentine Chemical Society; Lugar: Buenos Aires; Año: 1991 vol. 79 p. 161 - 172

ENRIZ R D; E.A.JAUREGUI

A theoretical model for the histamine H2 receptor

Drug design and delivery; Lugar: New York; Año: 1991 vol. 7 p. 183 - 202

R D ENRIZ; G.M.CIUFFO; E.A.JAUREGUI

Theoretical study of cimetidine and rigid analogues

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1991 vol. 226 p. 327 - 338

ENRIZ R D; E.A.JAUREGUI

Estudio teorico conformacional de tiotidina y nizatidina

ACTA CIENTIFICA VENEZOLANA; Lugar: Caracas; Año: 1991 vol. 42 p. 70 - 76

R D ENRIZ; E.A.JAUREGUI

Study of the configurational isomerism of polar groups present in histamine H2 receptor antagonists

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1990 vol. 207 p. 269 - 283

ENRIZ R D; M.R.ESTRADA; G.M.CIUFFO; E.A.JAUREGUI

Estudio teórico de dimaprit y homólogos

Journal of the Argentine Chemical Society; Lugar: Buenos Aires; Año: 1990 vol. 78 p. 221 - 235

ENRIZ R D; E.A.JAUREGUI

Estudio Teórico conformacional de la famotidina

Journal of the Argentine Chemical Society; Lugar: Buenos Aires; Año: 1990 vol. 78 p. 135 - 146

ENRIZ R D; G.M CIUFFO; M.R.ESTRADA; E.A.JAUREGUI

Empirical atom atom potential calculations on two antagonist on histamine H2 receptors: ranitidine and etintidine

ACTA CIENTIFICA VENEZOLANA; Lugar: Caracas; Año: 1988 vol. 39 p. 214 - 223