TALEVI, ALAN; ALBERCA, LUCAS N.; BELLERA, CAROLINA L.

Tackling the issue of confined chemical space with AI-based de novo drug design and molecular optimization

EXPERT OPINION ON DRUG DISCOVERY; Año: 2025 p. 1 - 14

ALBERCA, LUCAS N.; PRADA GORI, DENIS N.; FALLICO, MAXIMILIANO J.; FASSIO, ALEXANDRE V.; TALEVI, ALAN; BELLERA, CAROLINA L.

LIDEB's Useful Decoys (LUDe): A freely available decoy-generation tool. Benchmarking and scope

Artificial Intelligence in the Life Sciences; Año: 2025 p. 1 - 29

TALEVI, ALAN; BELLERA, CAROLINA L.

Clustering of small molecules: new perspectives and their impact on natural product lead discovery

Frontiers in Natural Products; Año: 2024 vol. 3 p. 1 - 7

TALEVI, ALAN; BELLERA, CAROLINA

An update on the novel methods for the discovery of antiseizure and antiepileptogenic medications: where are we in 2024?

EXPERT OPINION ON DRUG DISCOVERY; Año: 2024 p. 1 - 16

SANTIAGO M. RUATTA; RENZO CARLUCCI; MARTÍN FLÓ DÍAZ; DENIS PRADA GORI; LUCAS ALBERCA; CAROLINA BELLERA; NOELIA S. MEDRÁN; GUILLERMO R. LABADIE; MARCELO A. COMINI; ALAN TALEVI

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

PRADA GORI, DENIS N.; RUATTA, SANTIAGO; FLÓ, MARTÍN; ALBERCA, LUCAS N.; BELLERA, CAROLINA L.; PARK, SOONJU; HEO, JINYEONG; LEE, HONGGUN; PARK, KYU-HO PAUL; PRITSCH, OTTO; SHUM, DAVID; COMINI, MARCELO A.; TALEVI, ALAN

Drug repurposing screening validated by experimental assays identifies two clinical drugs targeting SARS-CoV-2 main protease

Frontiers in Drug Discovery; Año: 2023 vol. 2 p. 1 - 13

GORI, DENIS N. PRADA; ALBERCA, LUCAS N.; RODRIGUEZ, SANTIAGO; ALICE, JUAN I.; LLANOS, MANUEL A.; BELLERA, CAROLINA L.; TALEVI, ALAN

LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics apps

Artificial Intelligence in the Life Sciences; Lugar: amsterdam; Año: 2022 vol. 2 p. 1 - 11

DENIS PRADA GORI; MANUEL A. LLANOS; CAROLINA L. BELLERA; ALAN TALEVI; LUCAS N. ALBERCA

iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small MoleculeS

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Lugar: Washington; Año: 2022 vol. 62 p. 2987 - 2998

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

ALICE, JUAN I.; BELLERA, CAROLINA L.; BENÍTEZ, DIEGO; COMINI, MARCELO A.; DUCHOWICZ, PABLO R.; TALEVI, ALAN

Ensemble learning application to discover new trypanothione synthetase inhibitors

MOLECULAR DIVERSITY; Lugar: Berlin; Año: 2021 vol. 25 p. 1361 - 1373

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

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: 2021 vol. 16 p. 605 - 612

BELLERA, CAROLINA L.; ALBERCA, LUCAS N.; SBARAGLINI, MARÍA L.; TALEVI, ALAN

In Silico Drug Repositioning for Chagas Disease

CURRENT MEDICINAL CHEMISTRY.; Año: 2020 vol. 27 p. 662 - 675

TALEVI, ALAN; BELLERA, CAROLINA L.

Challenges and opportunities with drug repurposing: finding strategies to find alternative uses of therapeutics

EXPERT OPINION ON DRUG DISCOVERY; Año: 2020 vol. 15 p. 397 - 401

MORALES, JUAN F.; CHUGURANSKY, SARA; ALBERCA, LUCAS N.; ALICE, JUAN I.; GOICOECHEA, SOFÍA; RUIZ, MARÍA E.; BELLERA, CAROLINA L.; TALEVI, ALAN

Positivity Predictive Value surfaces as a complementary tool to assess the performance of virtual screening methods

MINI-REVIEWS IN MEDICINAL CHEMISTRY; Año: 2020 vol. 20 p. 1447 - 1460

BELLERA CAROLINA L.; TALEVI ALAN

Quantitative structure activity relationship models for compounds with anti-convulsant activity

EXPERT OPINION ON DRUG DISCOVERY; Lugar: London; Año: 2019 vol. 14 p. 653 - 665

SBARAGLINI, ML; BELLERA, CL; QUARROZ BRAGHINI, J; ARECO, Y; MIRANDA, C; CARRILLO, C; KELLY, J; BUCHHOLZ, B; GELPI, RJ; TALEVI, A; ALBA SOTO, CD

Combined therapy with Benznidazole and repurposed drugs Clofazimine and Benidipine for chronic Chagas disease

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Lugar: Paris; Año: 2019 vol. 184 p. 1 - 7

GOICOECHEA, S; SBARAGLINI, ML; CHUGURANSKY, SR; MORALES, JF; RUIZ, ME; TALEVI, A; BELLERA, CL

Application of machine learning approaches to identify new anticonvulsant compounds active in the 6 Hz seizure model

Communications in Computer and Information Science (CCIS); Lugar: Switzerland; Año: 2019 p. 3 - 19

BELLERA, CAROLINA L.; DI IANNI, MAURICIO E.; TALEVI, ALAN

The application of molecular topology for ulcerative colitis drug discovery

EXPERT OPINION ON DRUG DISCOVERY; Año: 2018 vol. 13 p. 89 - 101

BELLERA C.L.; SBARAGLINI M. L.; TALEVI A.

Modern Approaches for the Discovery of Anti-Infectious Drugs for the Treatment of Neglected Diseases

Current Topics in Medicinal Chemistry; Lugar: Oak Park; Año: 2018 vol. 18 p. 369 - 381

SBARAGLINI M. L.; BELLERA C.L.; FRACCAROLI L.; LAROCCA L.; CARRILLO C.; TALEVI A.; ALBA SOTO C.

Novel cruzipain inhibitors for the chemotherapy of chronic Chagas disease

INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS; Lugar: Amsterdam; Año: 2016 vol. 48 p. 91 - 95

SBARAGLINI M. L.; VANRELL M. C.; BELLERA C.L.; BENAIM G.; CARRILLO C.; TALEVI A.; ROMANO P.

Neglected Tropical Protozoan Diseases: Drug Repositioning as a Rational Option

Current Topics in Medicinal Chemistry; Lugar: Oak Park; Año: 2016 vol. 16 p. 2201 - 2222

BELLERA C.L.; SBARAGLINI M. L.; BALCAZAR D.; FRACCAROLI L.; VANRELL M. C.; CASASSA A. F.; LABRIOLA C.; ROMANO P.; CARRILLO C.; TALEVI A.

High-throughput drug repositioning for the discovery of new antichagasic medications

MINI-REVIEWS IN MEDICINAL CHEMISTRY; Lugar: Oak Park; Año: 2015 vol. 15 p. 182 - 193

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

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

CAROLINA L. BELLERA; DARIO BALCAZAR; LUCAS ALBERCA; CARLOS LABRIOLA; ALAN TALEVI; CAROLINA CARRILLO

Identification of levothyroxine antichagasic activity through computer-aided drug repurposing

SCIENTIFIC WORLD JOURNAL, THE; Lugar: New York; Año: 2014 vol. 2014 p. 1 - 9

CAROLINA L. BELLERA; DARIO BALCAZAR; CARLOS LABRIOLA; CAROLINA CARRILLO; ALAN TALEVI

Application of computer-aided drug repurposing in the search of new cruzipain inhibitors: discovery of amiodarone and bromocriptine inhibitory effects

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Lugar: Washington; Año: 2013 vol. 53 p. 2402 - 2408

BELLERA C.L.; GANTNER M.; RUIZ E.; TALEVI A.

Recent Advances on Nanotechnology Applications to Cancer Drug Therapy

JOURNAL OF CANCER RESEARCH UPDATES; Año: 2013 vol. 2 p. 151 - 185

TALEVI A.; BELLERA C.L.; DI IANNI M.; GANTNER M.; BRUNO-BLANCH L. E.; CASTRO E. A.

CNS drug development- Lost in translation?

MINI-REVIEWS IN MEDICINAL CHEMISTRY; Lugar: Oak Park; Año: 2012 vol. 12 p. 959 - 970

TALEVI A.; BELLERA C.L.; DI IANNI M.; DUCHOWICZ P. R.; BRUNO-BLANCH L. E.; CASTRO E. A.

An integrated drug development approach applying topological descriptors

CURRENT COMPUTER-AIDED DRUG DESIGN; Lugar: Oak Park; Año: 2012 vol. 8 p. 172 - 181

PIZZO C; SAIZ C; TALEVI ALAN; BELLERA CL; GAVERNET L; PALESTRO P; BRUNO-BLANCH LE; GONZALEZ M; BENITEZ, D; CASAZZULO JJ; CHIDICHIMO A; WIPF P; MAHLER G

Synthesis of 2-hydrazolyl-4-thiazolidinones based on multicomponent reactions and biological evaluation against T. Cruzi

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

TALEVI A; GOODARZI M; ORTIZ E; DUCHOWICZ PR; BELLERA CL; PESCE G; CASTRO EA; BRUNO-BLANCH LE

Prediction of Drug Intestinal Absorption by New Linear and Non-Linear QSPR

EUROPEAN JOURNAL OF MEDICAL CHEMISTRY; Lugar: Paris; Año: 2011 vol. 46 p. 218 - 228

TALEVI A; BELLERA CL; CASTRO EA; BRUNO-BLANCH LE

Optimal Partition of Datasets of QSPR Studies: A Sampling Problem

MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY; Año: 2010 vol. 63 p. 585 - 599

DUCHOWICZ P; TALEVI A; BELLERA CL; BRUNO-BLANCH LE; CASTRO EA

Application of descriptors based on Lipinski?s rules in the QSPR study of aqueous solubilities

BIOORGANIC & MEDICINAL CHEMISTRY.; Lugar: Amsterdam; Año: 2007 vol. 15 p. 3711 - 3719

BELLERA CL; TALEVI A; BRUNO-BLANCH LE

Aplicación de Análisis Lineal Discriminante en la Búsqueda de Drogas Antiepileptogénicas

ACTA FARM. BONAERENSE; Lugar: La Plata, Buenos Aires, Argentina; Año: 2007 vol. 26 p. 244 - 252

ALAN TALEVI; CAROLINA L. BELLERA; EDUARDO A. CASTRO; BRUNO-BLANCH LE

A successful virtual screening application: prediction of anticonvulsant activity in MES test of widely used pharmaceutical and food preservatives methylparaben and propylparaben

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN; Lugar: Berlin; Año: 2007 vol. 21 p. 527 - 538

TALEVI A; BELLERA CL; CASTRO EA; BRUNO-BLANCH LE

Application of Molecular Topology in Descriptor-based Virtual Screening for the Discovery of New Anticonvulsant Agents

DRUGS OF THE FUTURE; Lugar: Barcelona; Año: 2006 vol. 31 p. 188 - 188