LLANOS, MANUEL A.; ALBERCA, LUCAS N.; RUIZ, MARÍA D.; SBARAGLINI, MARÍA L.; MIRANDA, CRISTIAN; PINO-MARTINEZ, AGUSTINA; FRACCAROLI, LAURA; CARRILLO, CAROLINA; ALBA SOTO, CATALINA D.; GAVERNET, LUCIANA; TALEVI, ALAN

A combined ligand and target-based virtual screening strategy to repurpose drugs as putrescine uptake inhibitors with trypanocidal activity

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN; Lugar: Berlin; Año: 2023 vol. 37 p. 75 - 90

GAROFALO, FEDERICO M.; SBARAGLINI, MARÍA L; BARRIONUEVO, EMILIA M.; PERALTA, ESTEFANÍA; BONIFAZI, EVELYN L.; TALEVI, ALAN; GAVERNET, LUCIANA

Synthesis and biological evaluation of new antiseizure compounds derived from valproic acid

Future medicinal chemistry; Año: 2023 vol. 15 p. 735 - 743

LLANOS, MANUEL; ENRIQUE, NICOLAS; ESTEBAN-LÓPEZ, V.; SCIOLI MONTOTO, SEBASTIÁN; SANCHEZ-BENITO, D.; RUIZ, MARÍA ESPERANZA; MILESI, VERÓNICA; LÓPEZ, D. E.; TALEVI, ALAN; MARTÍN, PEDRO; GAVERNET, LUCIANA

A Combined Ligand- and Structure-Based Virtual Screening To Identify Novel NaV1.2 Blockers: In Vitro Patch Clamp Validation and In Vivo Anticonvulsant Activity

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Lugar: Washington; Año: 2023

RUATTA, SANTIAGO M.; PRADA GORI, DENIS N.; FLÓ DÍAZ, MARTÍN; LORENZELLI, FRANCA; PERELMUTER, KAREN; ALBERCA, LUCAS N.; BELLERA, CAROLINA L.; MEDEIROS, ANDREA; LÓPEZ, GLORIA V.; INGOLD, MARIANA; PORCAL, WILLIAMS; DIBELLO, ESTEFANÍA; IHNATENKO, IRINA; KUNICK, CONRAD; INCERTI, MARCELO; LUZARDO, MARTÍN; COLOBBIO, MAXIMILIANO; RAMOS, JUAN CARLOS; MANTA, EDUARDO; MININI, LUCÍA; LAVAGGI, MARÍA LAURA; HERNÁNDEZ, PAOLA; SARLAUSKAS, JONAS; HUERTA GARCÍA, CÉSAR SEBASTIAN; CASTILLO, RAFAEL; HERNÁNDEZ-CAMPOS, ALICIA; RIBAUDO, GIOVANNI; ZAGOTTO, GIUSEPPE; CARLUCCI, RENZO; MEDRÁN, NOELIA S.; LABADIE, GUILLERMO R.; MARTINEZ-AMEZAGA, MAITENA; DELPICCOLO, CARINA M. L.; MATA, ERNESTO G.; SCARONE, LAURA; POSADA, LAURA; SERRA, GLORIA; CALOGEROPOULOU, THEODORA; PROUSIS, KYRIAKOS; DETSI, ANASTASIA; CABRERA, MAURICIO; ALVAREZ, GUZMÁN; AICARDO, ADRIÁN; ARAÚJO, VERENA; CHAVARRÍA, CECILIA; MA?I?, LUCIJA PETERLIN; GANTNER, MELISA E.; LLANOS, MANUEL A.; RODRÍGUEZ, SANTIAGO; GAVERNET, LUCIANA; PARK, SOONJU; HEO, JINYEONG; LEE, HONGGUN; PA

Garbage in, garbage out: how reliable training data improved a virtual screening approach against SARS-CoV-2 MPro

Frontiers in Pharmacology; Año: 2023 vol. 14

CORVI MARIA; ROSSI FRANCO; GANUZA AGUSTINA; ALONSO ANDRES; ALBERCA LUCAS NICOLAS; DIETRICH ROQUE CARLOS; GAVERNET LUCIANA; TALEVI ALAN

Triclabendazole and clofazimine reduce replication and spermine uptake in vitro in Toxoplasma gondii

Parasitology Research; Año: 2023 vol. 123

LLANOS, MANUEL A.; ALBERCA, LUCAS N.; LARREA, SALOMÉ C. VILCHEZ; SCHOIJET, ALEJANDRA C.; ALONSO, GUILLERMO D.; BELLERA, CAROLINA L.; GAVENET, LUCIANA; TALEVI, ALAN

Homology Modeling and Molecular Dynamics Simulations of Trypanosoma cruzi Phosphodiesterase b1

Chemistry and Biodiversity; Año: 2022 vol. 19

MANUEL AUGUSTO LLANOS; NICOLAS ENRIQUE; MARIA LAURA SBARAGLINI; FEDERICO MARIANO GAROFALO; ALAN TALEVI; LUCIANA GAVERNET; PEDRO MARTÍN

Structure-based virtual screening identifies Novobiocin, Montelukast and Cinnarizine as TRPV1 modulators with anticonvulsant activity in vivo

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Año: 2022

FALLICO, MAXIMILIANO; ALBERCA, LUCAS N.; GORI, DENIS N. PRADA; GAVERNET, LUCIANA; TALEVI, ALAN

Machine Learning Search of Novel Selective NaV1.2 and NaV1.6 Inhibitors as Potential Treatment Against Dravet Syndrome

Communications in Computer and Information Science; Año: 2022 p. 101 - 118

LLANOS, MANUEL A.; VENTURA, CLARA; MARTÍN, PEDRO; ENRIQUE, NICOLÁS; FELICE, JUAN I.; GAVERNET, LUCIANA; MILESI, VERÓNICA

Novel Dimeric hHv1 Model and Structural Bioinformatic Analysis Reveal an ATP-Binding Site Resulting in a Channel Activating Effect

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Año: 2022 vol. 62 p. 3200 - 3212

MELISA E. GANTNER; DENIS N. PRADA GORI; MANUEL A. LLANOS; ALAN TALEVI; ANDREA ANGELI; DANIELA VULLO; CLAUDIU T. SUPURAN; LUCIANA GAVERNET

Identification of new carbonic anhydrase VII inhibitors by structure-based virtual screening

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Año: 2022

KAMECKI, FABIOLA; MARCUCCI, CAROLINA; FERREIRA-GOMES, MARIELA; SABATIER, LAUREANO; KNEZ, DAMIJAN; GOBEC, STANISLAV; MONTI, JOSÉ LUIS EUGENIO; RADEMACHER, MARINA; MARCOS, ALEJANDRA; DE TEZANOS PINTO, FELICITAS; GAVERNET, LUCIANA; COLETTIS, NATALIA; MARDER, MARIEL

2’-Hydroxy-4’,5’-dimethyl-4-dimethylaminochalcone, a novel fluorescent flavonoid with capacity to detect aluminium in cells and modulate Alzheimer's disease targets

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY; Año: 2021 vol. 409

GANTNER, MELISA EDITH; LLANOS, MANUEL AUGUSTO; GAROFALO, FEDERICO MARIANO; VILLALBA, MARÍA LUISA; GAVERNET, LUCIANA

Computational and Synthetic Target-Based Approaches to the Discovery of Novel Anticonvulsant Compounds

CURRENT MEDICINAL CHEMISTRY.; Año: 2021 vol. 28

LLANOS, MANUEL A.; GANTNER, MELISA E.; RODRIGUEZ, SANTIAGO; ALBERCA, LUCAS N.; BELLERA, CAROLINA L.; TALEVI, ALAN; GAVERNET, LUCIANA

Strengths and Weaknesses of Docking Simulations in the SARS-CoV-2 Era: The Main Protease (Mpro) Case Study

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Año: 2021 vol. 61 p. 3758 - 3770

CASTRO, MARÍA A.; LLANOS, MANUEL A.; RODENAK-KLADNIEW, BORIS E.; GAVERNET, LUCIANA; GALLE, MARIANELA E.; CRESPO, ROSANA

Citrus reticulata peel oil as an antiatherogenic agent: Hypolipogenic effect in hepatic cells, lipid storage decrease in foam cells, and prevention of LDL oxidation

NUTRITION METABOLISM AND CARDIOVASCULAR DISEASES; Año: 2020

BELLERA, CAROLINA L.; LLANOS, MANUEL; GANTNER, MELISA E.; RODRIGUEZ, SANTIAGO; GAVERNET, LUCIANA; COMINI, MARCELO; TALEVI, ALAN

Can drug repurposing strategies be the solution to the COVID-19 crisis?

EXPERT OPINION ON DRUG DISCOVERY; Año: 2020

LLANOS, MANUEL A.; SBARAGLINI, MARÍA L.; VILLALBA, MARÍA L.; RUIZ, MARÍA D.; CARRILLO, CAROLINA; SOTO, CATALINA ALBA; TALEVI, ALAN; ANGELI, ANDREA; PARKKILA, SEPPO; SUPURAN, CLAUDIU T.; GAVERNET, LUCIANA

A structure-based approach towards the identification of novel antichagasic compounds: Trypanosoma cruzi carbonic anhydrase inhibitors

JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY; Año: 2020 vol. 35 p. 21 - 30

AUZMENDI, JERÓNIMO; PALESTRO, PABLO; BLACHMAN, AGUSTÍN; GAVERNET, LUCIANA; MERELLI, AMALIA; TALEVI, ALAN; CALABRESE, GRACIELA CRISTINA; RAMOS, ALBERTO JAVIER; LAZAROWSKI, ALBERTO

Cannabidiol (CBD) Inhibited Rhodamine-123 Efflux in Cultured Vascular Endothelial Cells and Astrocytes Under Hypoxic Conditions

Frontiers in Behavioral Neuroscience; Año: 2020 vol. 14

SBARAGLINI MARIA LAURA; CHUGURANSKY SARA; PALESTRO PABLO; GAVERNET LUCIANA; TALEVI ALAN; GARCÍA LIÑARES GUADALUPE

Lipase Catalyzed Synthesis of Alkyl Phenylacetates with Anticonvulsant Activity

Latin American Journal of Pharmacy; Año: 2020 vol. 39

SABATIER LAUREANO; PALESTRO PABLO; ENRIQUE ANDREA; PASTORE VALENTINA; SBARAGLINI MARIA LAURA; MARTIN PEDRO; GAVERNET LUCIANA

Design, synthesis and biological evaluation of N-substituted -hydroxyimides and 1,2,3-oxathiazolidine-4-one-2,2-dioxides with anticonvulsant activity.

JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY; Lugar: Londres; Año: 2019

DIETRICH, R.C.; ALBERCA, L.N.; RUIZ, M.D.; PALESTRO, P.H.; C, CARRILLO; TALEVI, A.; GAVERNET, L.

Identification of cisapride as new inhibitor of putrescine uptake in Trypanosoma cruzi by combined ligand- and structure-based virtual screening

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Año: 2018

PALESTRO PABLO; ENRIQUE NICOLAS; GOICOECHEA SOFIA; VILLALBA MARIA LUISA; SABATIER LAUREANO; MARTIN PEDRO; MILESI VERONICA; BRUNO BLANCH LUIS E.; GAVERNET LUCIANA

Searching for new leads to treat epilepsy. Target-based virtual screening for the discovery of anticonvulsant agents

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Lugar: Washington; Año: 2018

VILLALBA MARIA LUISA; ENRIQUE ANDREA; HIGGS JOSEFINA; CASTAÑO ROCIO; GOICOECHEA SOFIA; TABORDA FACUNDO; GAVERNET LUCIANA; LICK DANIELA; MARDER MARIEL; BRUNO BLANCH LUIS E.

Novel sulfamides and sulfamates derived from amino esters: Synthetic studies and anticonvulsant activity

EUROPEAN JOURNAL OF PHARMACOLOGY; Lugar: Amsterdam; Año: 2016 vol. 774 p. 55 - 63

COUYOUPETROU MANUEL; GANTNER MELISA; DI IANNI MAURICIO; PALESTRO PABLO; ENRIQUE ANDREA; GAVERNET LUCIANA; RUIZ MARIA ESPERANZA; PESCE GUIDO ; BRUNO BLANCH LUIS E.; TALEVI ALAN

Computer-Aided Recognition of ABC Transporters Substrates and Its Application to the Development of New Drugs for Refractory Epilepsy

MINI-REVIEWS IN MEDICINAL CHEMISTRY; Lugar: Oak Park; Año: 2016

VILLALBA MARIA LUISA; PALESTRO PABLO; CERRUZO MARIANGELA; GONZALEZ FUNES JOSE LUIS; TALEVI ALAN; BRUNO BLANCH LUIS E.; SUPURAN CLAUDIU; GAVERNET LUCIANA

Sulfamide derivatives with selective carbonic anhydrase VII inhibitory action

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2016 vol. 24 p. 894 - 901

BELLERA CAROLINA; BALCAZAR DARIO; VANRELL M. CRISTINA; CASASSA FLORENCIA A; PALESTRO PABLO; GAVERNET LUCIANA; CARLOS A. LABRIOLA; GALVEZ JORGE; BRUNO BLANCH LUIS E.; ROMANO PATRICIA; CARRILLO CAROLINA; TALEVI ALAN

Computer-guided drug repurposing: Identification of trypanocidal activity of clofazimine, benidipine and saquinavir

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Lugar: Paris; Año: 2015 vol. 93 p. 338 - 348

PALESTRO PABLO; GAVERNET LUCIANA; ESTIU GUILLERMINA L.; BRUNO BLANCH LUIS E.

Docking applied to the prediction of the affinity of compounds to P- Glycoprotein

BioMed Research International; Año: 2014 vol. 2014 p. 1 - 10

GAVERNET LUCIANA; VILLALBA MARIA LUISA; BRUNO BLANCH LUIS E.; LICK DANIELA

Kinetic study of benzyl sulfamide. Synthesis by thermolysis of N-(benzyl)-N´-(tert-butoxycarbolyl) Sulfamide

European Journal of Chemistry; Lugar: Mersin University, Turkey; Año: 2013 p. 44 - 48

GAVERNET LUCIANA; GONZALEZ FUNES JOSE LUIS; PALESTRO PABLO; BRUNO BLANCH LUIS E.; ESTIU GUILLERMINA; MARESCA ALFONSO; BARRIOS IVANA A.; SUPURAN CLAUDIU

Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2013 p. 1410 - 1418

GAVERNET LUCIANA; PALESTRO PABLO; BRUNO-BLANCH LUIS E.

Docking applied to the study of inhibitors of c-Met kinase

ISRN Physical Chemistry; Año: 2012 p. 1 - 5

LICK DANIELA; VILLALBA MARIA LUISA; GAVERNET LUCIANA

Synthesis of diketopiperazine: A kinetic study by means of thermoanalytical methods

THERMOCHIMICA ACTA; Lugar: Amsterdam; Año: 2012 p. 143 - 147

DI IANNI MAURICIO; ENRIQUE ANDREA; PALESTRO PABLO; GAVERNET LUCIANA; TALEVI ALAN; BRUNO BLANCH LUIS E.

Several new diverse anticonvulsant agents discovered in a virtual screening campaign aimed at novel antiepileptic drugs to treat refractory epilepsy

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Lugar: Washington; Año: 2012 p. 3325 - 3330

WASOWSKI CRISTINA; GAVERNET LUCIANA; BARRIOS IVANA A.; VILLALBA MARIA LUISA; PASTORE VALENTINA; SAMAJA GISELA; ENRIQUE ANDREA; BRUNO BLANCH LUIS E.; MARDER MARIEL

N,N´-dicyclohexylsulfamide and N,N´-diphenethylsulfamide, anticonvulsant sulfamides with affinity for the benzodiazepine binding site of the GABAA receptor and anxiolytic activity in mice

BIOCHEMICAL PHARMACOLOGY; Año: 2012 p. 253 - 259

PIZZO CHIARA; SAIZ CECILIA; TALEVI ALAN; GAVERNET LUCIANA; PALESTRO PABLO; BELLERA CAROLINA; BRUNO BLANCH LUIS E.; BENITEZ DIEGO; CAZZULO JUAN; CHIDICHIMO AGUSTINA; WIPF PETER; MAHLER GRACIELA

Synthesis of 2-Hydrazolyl-4-Thiazolidinones Based on Multicomponent Reactions and Biological Evaluation Against Trypanosoma Cruzi

CHEMICAL BIOLOGY & DRUG DESIGN; Año: 2011 vol. 77 p. 166 - 172

LICK DANIELA; GAVERNET LUCIANA; BRUNO BLANCH LUIS E.; PONZI ESTHER N.

Alternative and new synthetic strategies for new drug candidates. The thermolysis reaction of N-(benzyl)-N´-(tert-butoxycarbonyl) sulfamide to yield Benzylsulfamide.

THERMOCHIMICA ACTA; Año: 2010 vol. 501 p. 30 - 34

GAVERNET LUCIANA; GONZALEZ FUNES JOSE LUIS; BRUNO BLANCH LUIS E.; ESTIU GUILLERMINA L.; MARESCA ALFONSO; SUPURAN CLAUDIU

Affinity of sulfamates and sulfamides to Carbonic Anhydrase II isoform: experimental and molecular modeling approaches

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Año: 2010 vol. 50 p. 1113 - 1122

GAVERNET LUCIANA; ELVIRA JUAN E.; SAMAJA GISELA; PASTORE VALENTINA; SELLA CRAVERO MARIANA; ESTIU GUILLERMINA L.; BRUNO-BLANCH LUIS E.

Synthesis and Anticonvulsant Activity of Amino Acid-Derived Sulfamides

JOURNAL OF MEDICINAL CHEMISTRY; Año: 2009 p. 1592 - 1601

TALEVI ALAN; GAVERNET LUCIANA; BRUNO-BLANCH LUIS E.

Combined Virtual Screening Strategies.

CURRENT COMPUTER-AIDED DRUG DESIGN; Año: 2009 vol. 5 p. 23 - 37

GAVERNET LUCIANA; TALEVI ALAN; CASTRO EDUARDO A.; BRUNO BLANCH LUIS E.

A Combined Virtual Screening 2D and 3D QSAR Methodology for the Selection of New Anticonvulsant Candidates from Natural Product Library

QSAR & Combinatorial Science; Año: 2008 vol. 27 p. 1120 - 1129

GAVERNET LUCIANA; DOMINGUEZ CABRERA MARIA J.; BRUNO-BLANCH LUIS E.; ESTIU GUILLERMINA L.

3D-QSAR Design of novel Antiepileptic Sulfamide ligands

BIOORGANIC & MEDICINAL CHEMISTRY.; Año: 2007 vol. 15 p. 1556 - 1567

GAVERNET LUCIANA; BARRIOS IVANA A.; SELLA CRAVERO MARIANA; BRUNO-BLANCH LUIS E.

Design, synthesis, and anticonvulsant activity of some sulfamides

BIOORGANIC & MEDICINAL CHEMISTRY.; Año: 2007 vol. 15 p. 5604 - 5614

GAVERNET LUCIANA; SARAVÍ CISNEROS HEBE; BRUNO-BLANCH LUIS E.; ESTIU GUILLERMINA L.

Synthesis of anticonvulsant sulfamides. Theoretical study of the related mechanism

THEORETICAL CHEMISTRY ACCOUNTS; Año: 2003 vol. 110 p. 434 - 440

CASTRO EDUARDO A.; FIRPO MARIANO; GAVERNET LUCIANA

Predicción de los calores de formación de diazoazoles y azolilidenos calculados por una aproximación mejorada de equivalentes atómicos

Boletin de la sociedad química de Peru; Año: 2001 p. 259 - 266

ALLEGRETTI, P. E.; GAVERNET LUCIANA; CASTRO EDUARDO A.; FURLONG JORGE J. P.

Mass spectral and theoretical studies of the tautomerism of b-diketones

Asian Journal of specroscopy; Año: 2001 vol. 2 p. 63 - 68

FIRPO MARIANO; GAVERNET LUCIANA; CASTRO EDUARDO A.; TOROPOV A. A.

Maximun topológical distances based indices as molecular descriptors for QSPR. 1-Application to alkyl benzenes boiling points

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Año: 2000 p. 419 - 425

ALLEGRETTI, P. E.; GAVERNET LUCIANA; CASTRO EDUARDO A.; FURLONG JORGE J. P.

Spectrometric and theoretical evidence for the occurrence of tautomeric structures for selected ketones

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Año: 2000 vol. 532 p. 139 - 142

CASTRO EDUARDO A.; FIRPO MARIANO; GAVERNET LUCIANA

Calculations of heats of formation of hydrazides with an improved simplified scheme of atom equivalents

Revista del colegio panameño de químicos; Año: 2000 vol. 19 p. 32 - 36

FIRPO MARIANO; GAVERNET LUCIANA; CASTRO EDUARDO A.

An improved calculation of bond-dissociation energies of organic compounds based on the concept of stabilization energy

Polish J. Chem.; Año: 1999 vol. 73 p. 1041 - 1045

FIRPO MARIANO; GAVERNET LUCIANA; CASTRO EDUARDO A.

Un cálculo mejorado de energía de disociación de enlace en compuestos orgánicos basados en el concepto de energía de estabilización

Boletín de la sociedad química del Perú; Año: 1999 vol. LXV p. 163 - 183

FIRPO MARIANO; GAVERNET LUCIANA; CASTRO EDUARDO A.

Empirical calculation of vaporization enthalpies at 298,15 K of the n-alkanes from C21 to C28 and C30

Romanian Journal of Physics; Año: 1999 vol. 44 p. 181 - 187

GAVERNET LUCIANA; FIRPO MARIANO; CASTRO EDUARDO A.

Heats of formation of alkenes calculated from simple protocols

REVUE ROUMAINE DE CHIMIE; Año: 1998 vol. 43 p. 1079 - 1082

CASTRO EDUARDO A.; GAVERNET LUCIANA; FIRPO MARIANO

Application of an improved simplified scheme of atom equivalents to calculate heats of formation of alkenes

ACTA CHIMICA SLOVENICA; Año: 1997 vol. 43 p. 327 - 333