SGARIGLIA, MELINA A.; GARIBOTTO, FRANCISCO M.; SOBERÓN, JOSÉ R.; ANGELINA, EMILIO L.; ANDUJAR, SEBASTIÁN A.; VATTUONE, MARTA A.

Study of polyphenols from Caesalpinia paraguariensis as α-glucosidase inhibitors: kinetics and structure-activity relationship

NEW JOURNAL OF CHEMISTRY; Año: 2022 vol. 46 p. 11044 - 11055

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; Año: 2022 vol. 12

DELSOUC, MARÍA BELÉN; CONFORTI, ROCÍO AYELEM; VITALE, DAIANA LUJÁN; ALANIZ, LAURA; PACHECO, PABLO; ANDUJAR, SEBASTIÁN; VALLCANERAS, SANDRA SILVINA; CASAIS, MARILINA

Antiproliferative and antiangiogenic effects of ammonium tetrathiomolybdate in a model of endometriosis

LIFE SCIENCES; Año: 2021

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

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

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

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

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

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

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

SIANO ALVARO; GARIBOTTO, FRANCISCO; ANDUJAR SEBASTIAN; HÉCTOR ARMANDO BALDONI; TONARELLI GEORGINA; RICARDO D. ENRIZ

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.; Lugar: LOndres; Año: 2017

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

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, RICARDO D.; SUVIRE, FERNANDO D.; ANDUJAR, SEBASTIAN A.; ALVAREZ, MARIA A.; VETTORAZZI, MARCELA; DOLAB, JUAN G.; ROJAS, SEBASTIAN

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

CURRENT ORGANIC CHEMISTRY; Año: 2017 vol. 21 p. 1885 - 1895

EXEQUIEL BARRERA GUISASOLA; LUCAS JOEL GUTIÉRREZ; SALCEDO RODRIGO; GARIBOTTO, FRANCISCO; ANDUJAR SEBASTIAN; ENRIZ RICARDO; ANA MARIA RODRIGUEZ

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

Computational and Theoretical Chemistry; Año: 2016

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

Small Peptides Derived from Penetratin as Antibacterial Agents

ARCHIV DER PHARMAZIE.; Lugar: Weinheim; Año: 2016

MATIAS SANCHO; ANDUJAR SEBASTIAN; RODOLFO PORASSO; ENRIZ RICARDO

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

JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Lugar: Washington; Año: 2016

EXEQUIEL BARRERA GUISASOLA; LUCAS JOEL GUTIÉRREZ; ANDUJAR SEBASTIAN; ANA MARIA RODRIGUEZ; RICARDO DANIEL ENRIZ

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

CURRENT PROTEIN AND PEPTIDE SCIENCE; Lugar: Oak Park; Año: 2016

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

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

JOURNAL OF NATURAL PRODUCTS; Lugar: Washington; Año: 2016

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

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

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

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

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

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY; Lugar: LOndres; Año: 2016

EMILIO ANGELINA; ANDUJAR, SEBASTIÁN; LAURA MORENO; FRANCISCO GARIBOTTO; JAVIER PμRRAGA; NELIDA PERUCHENA; NURIA CABEDO; MARGARITA VILLECCO; DIEGO CORTES; RICARDO D. ENRIZ

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

Molecular Informatics; Año: 2015

GILABERT, MIGUEL; K. MARCINKEVICIUS; S. ANDUJAR; M. SCHIAVONE; M.E. ARENA; A. BARDÓN

Sesqui- And triterpenoids from the liverwort Lepidozia chordulifera inhibitors of bacterial biofilm and elastase activity of human pathogenic bacteria

PHYTOMEDICINE; Año: 2015

EXEQUIEL BARRERA GUISASOLA; ANDUJAR SEBASTIAN; ELLEN HUBIN; KERENSA BROERSEN; IVONNE M. KRAAN; LUCIANA MENDEZ; CARINA M.L. DELPICCOLO; MARCELO F. MASMAN; ANA M. RODRÍGUEZ; RICARDO D. ENRIZ

New mimetic peptides inhibitors of Αβ aggregation. Molecular guidance for rational drug design

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Año: 2015

OLIVELLA, MONICA; ANTONIO MARCHAL; MANUEL NOGUERAS; MANUEL MELGUIZO; BEATRIZ LIMA; ALEJANDRO TAPIA; GABRIELA E. FERESIN; OSCAR PARRAVICINI; FERNANDO GIANNINI; SEBASTIAN A. ANDUJAR; JUSTO COBO; RICARDO D. ENRIZ

A new series of antibacterial nitrosopyrimidines: Synthesis and structure-activity relationship

ARCHIV DER PHARMAZIE.; Lugar: Weinheim; Año: 2015

LUCAS JOEL GUTIÉRREZ ; SEBASTIÁN ANTONIO ANDUJAR; RICARDO DANIEL ENRIZ; HÉCTOR ARMANDO BALDONI

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

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS; Año: 2014 p. 1 - 12

EMILIO L. ANGELINA; SEBASTIÁN A. ANDUJAR; RODRIGO D. TOSSO; RICARDO D. ENRIZ; NÉLIDA M. 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 p. 971 - 982

JAVIER PÁRRAGA; NURIA CABEDO; SEBASTIÁN ANDUJAR; LAURA PIQUERAS; LAURA MORENO ; ABRAHAM GALÁN; EMILIO ANGELINA ; RICARDO D. ENRIZ; MARÍA DOLORES IVORRA; MARÍA JESÚS SANZ; DIEGO CORTES

2,3,9- and 2,3,11-Trisubstituted tetrahydroprotoberberines as D2 dopaminergic ligands

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

TOSSO, RODRIGO; ANDUJAR, SEBASTIÁN; GUTIERREZ, LUCAS; E. ANGELINA; R. RODRIGUEZ; M. NOGUERAS; H. BALDONI; F. SUVIRE; J. COBOS; D. ENRIZ

Molecular Modeling Study of Dihydrofolate Reductase Inhibitors. Molecular Dyna- mics Simulations, Quantum Mechanical Calculations, and Experimental Corrobora- tion

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

MARCOS DERITA; ESTHER DEL OLMO; BIANCA BARBOZA; ANA ESTHER GARCÍA-CADENAS; OSÉ LUIS LÓPEZ-PÉREZ; SEBASTIÁN ANDÚJAR; DANIEL ENRIZ; SUSANA ZACCHINO; ARTURO SAN FELICIANO

Synthesis, Bioevaluation and Structural Study of Substituted Phthalazin-1(2H)-ones Acting as Antifungal Agents

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

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

Searching the ?biologically relevant?conformation of dopamine. A Computational approach.

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Año: 2012 vol. 52 p. 99 - 112

MARÍA DEL H. LOANDOS; ANA C. MURO; MARGARITA B. VILLECCO; MARCELO F. MASMAN; PAUL G.M. LUITEN; SEBASTIAN A. ANDUJAR; FERNANDO D. SUVIRE; RICARDO D. ENRIZ

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

NATURAL PRODUCT COMMUNICATIONS; Lugar: Westerville, Ohio; Año: 2012 vol. 7 p. 1117 - 1122

SEBASTIAN A. ANDUJAR; FRANCESCA LUGLI; SIEGFRIED HOFINGER; FRANCESCO ZERBETTO; RICARDO D. ENRIZ

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

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

J.E. ANGEL GUÍO; A. SANTIAGO; R. ROSSI; B. MIGLIORE DE ANGEL; S. BAROLO; S. A. ANDUJAR; V. HERNÁNDEZ; C. ROSALES; J.E. CHARRIS; H. SUÁREZ-ROCA; A. ISRAEL; M.M. RAMÍREZ; J. ORTEGA; N. HERRERA CANO; R.D. ENRIZ

Synthesis and preliminary pharmacological evaluation of methoxilated indoles with possible dopaminergic central action

ACTA FARM. BONAERENSE; Año: 2012

EDGARDO J. SAAVEDRA; SEBASTIAN A. ANDUJAR; FERNANDO D. SUVIRE; MIGUEL A. ZAMORA; MONICA L. FREILE; RICARDO D. ENRIZ

Multistep conformational interconversion mechanism of cyclododecane. A simple and fast analysis using potential energy curves

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Año: 2011

SEBASTIÁN ANDUJAR

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

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

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.; Año: 2009 p. 4968 - 4980

NOUREDDINE EL AOUAD, INMACULADA BERENGUER, VANESSA ROMERO, PALOMA MARıN, A´ NGEL SERRANO, SEBASTIAN 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 p. 4616 - 4621

ARTHUR BARAZARTE, JOSE´ CAMACHO,AJOSE DOMıNGUEZ, GRICELA LOBO, NEIRA GAMBOA, JUAN RODRIGUES, MARIO V. CAPPARELLI, A NGEL A LVAREZ-LARENA, SEBASTIAN ANDUJAR, DANIEL ENRIZ AND JAIME CHARRISA

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

BIOORGANIC & MEDICINAL CHEMISTRY.; Año: 2008 p. 3661 - 3674

ESTELA R. CORRECHE´, SEBASTIAN A. ANDUJAR, RITA R. KURDELAS, MARÝA J. GOMEZ LECHO N,D MONICA L. FREILEC AND RICARDO D. ENRIZ

Antioxidant and cytotoxic activities of canadine: Biological effects and structural aspects

BIOORGANIC & MEDICINAL CHEMISTRY.; Año: 2008 p. 3641 - 3651

SEBASTIAN A. ANDUJAR, BIAGINA MIGLIORE DE ANGEL, JAIME E. CHARRIS, ANITA ISRAEL, HEBERTO SUAREZ-ROCA, SIMON E. LOPEZ, MARIA R. GARRIDO, ELVIA VICTORIA CABRERA, GONZALO VISBAL, CECIRE ROSALES, FERNANDO D. SUVIRE, RICARDO D. ENRIZA, AND JORGE E. ANGEL-GUIO

Synthesis, dopaminergic profile, and molecular dynamics calculations of N-aralkyl substituted 2-aminoindans

BIOORGANIC & MEDICINAL CHEMISTRY.; Año: 2008 p. 3233 - 3244

ANDUJAR, S. A.; GARIBOTTO, F. M.; MIGLIORE DE ANGEL, B.; ANGEL-GUÍO, J.; CHARRIS, J.; ENRIZ, R. D.

MOLECULAR RECOGNITION AND BINDING MECHANISM OF N-ARALKYL SUBSTITUTED 2-AMINOINDANS AND THE DOPAMINE D2 RECEPTOR. A THEORETICAL STUDY

Journal of the Argentine Chemical Society; Año: 2006 p. 1 - 18

S.A. ANDUJAR, M.A. FILIPPA, F.H. FERRETTI, S.E. BLANCO

Isomerization of 40-methoxy-flavanone in alkaline medium. Determination of the enolate formation constant

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Año: 2003 p. 157 - 166