Lucas Nicolás Alberca
Lucas Nicolás Alberca
Universidad Nacional de La Plata, Laboratorio de Investigación y Desarrollo de Bioactivos (LIDeB)
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Application of computer-aided drug repurposing in the search of new cruzipain inhibitors: discovery of amiodarone and bromocriptine inhibitory effects
CL Bellera, DE Balcazar, L Alberca, CA Labriola, A Talevi, C Carrillo
Journal of chemical information and modeling 53 (9), 2402-2408, 2013
Discovery of novel polyamine analogs with anti-protozoal activity by computer guided drug repositioning
LN Alberca, ML Sbaraglini, D Balcazar, L Fraccaroli, C Carrillo, ...
Journal of computer-aided molecular design 30, 305-321, 2016
Strengths and weaknesses of docking simulations in the SARS-CoV-2 era: the main protease (Mpro) case study
MA Llanos, ME Gantner, S Rodriguez, LN Alberca, CL Bellera, A Talevi, ...
Journal of Chemical Information and Modeling 61 (8), 3758-3770, 2021
In silico Guided Drug Repurposing: Discovery of New Competitive and Non-competitive Inhibitors of Falcipain-2
LN Alberca, SR Chuguransky, CL Álvarez, A Talevi, E Salas-Sarduy
Frontiers in chemistry 7, 534, 2019
Identification of levothyroxine antichagasic activity through computer-aided drug repurposing
CL Bellera, DE Balcazar, L Alberca, CA Labriola, A Talevi, C Carrillo
The Scientific World Journal 2014, 2014
In silico drug repositioning for Chagas disease
CL Bellera, LN Alberca, ML Sbaraglini, A Talevi
Current Medicinal Chemistry 27 (5), 662-675, 2020
Cascade ligand-and structure-based virtual screening to identify new trypanocidal compounds inhibiting putrescine uptake
LN Alberca, ML Sbaraglini, JF Morales, R Dietrich, MD Ruiz, ...
Frontiers in Cellular and Infection Microbiology 8, 173, 2018
Application of target repositioning and in silico screening to exploit fatty acid binding proteins (FABPs) from Echinococcus multilocularis as possible drug targets
JA Bélgamo, LN Alberca, JL Pórfido, FNC Romero, S Rodriguez, A Talevi, ...
Journal of Computer-Aided Molecular Design 34, 1275-1288, 2020
Identification of cisapride as new inhibitor of putrescine uptake in Trypanosoma cruzi by combined ligand-and structure-based virtual screening
RC Dietrich, LN Alberca, MD Ruiz, PH Palestro, C Carrillo, A Talevi, ...
European Journal of Medicinal Chemistry 149, 22-29, 2018
iRaPCA and SOMoC: Development and validation of web applications for new approaches for the clustering of small molecules
DN Prada Gori, MA Llanos, CL Bellera, A Talevi, LN Alberca
Journal of Chemical Information and Modeling 62 (12), 2987-2998, 2022
In silico modeling of FDA-approved drugs for discovery of therapies against neglected diseases: a drug repurposing approach
CL Belllera, ML Sbaraglini, LN Alberca, JI Alice, A Talevi
In silico drug design, 625-648, 2019
LIDeB Tools: A Latin American resource of freely available, open-source cheminformatics apps
DNP Gori, LN Alberca, S Rodriguez, JI Alice, MA Llanos, CL Bellera, ...
Artificial Intelligence in the Life Sciences 2, 100049, 2022
The efficiency of multi-target drugs: A network approach
LN Alberca, A Talevi
Approaching Complex Diseases: Network-Based Pharmacology and Systems …, 2020
A combined ligand and target-based virtual screening strategy to repurpose drugs as putrescine uptake inhibitors with trypanocidal activity
MA Llanos, LN Alberca, MD Ruiz, ML Sbaraglini, C Miranda, ...
Journal of Computer-Aided Molecular Design 37 (2), 75-90, 2023
Homology Modeling and Molecular Dynamics Simulations of Trypanosoma cruzi Phosphodiesterase b1
MA Llanos, LN Alberca, SCV Larrea, AC Schoijet, GD Alonso, CL Bellera, ...
Chemistry & Biodiversity 19 (1), e202100712, 2022
Machine learning search of novel selective NaV1. 2 and NaV1. 6 inhibitors as potential treatment against dravet syndrome
M Fallico, LN Alberca, DNP Gori, L Gavernet, A Talevi
Latin American Workshop on Computational Neuroscience, 101-118, 2021
Integrated application of enhanced replacement method and ensemble learning for the prediction of BCRP/ABCG2 substrates
M E Gantner, L N Alberca, A G Mercader, L E Bruno-Blanch, A Talevia
Current Bioinformatics 12 (3), 239-248, 2017
Tetracycline derivatives inhibit plasmodial cysteine protease falcipain-2 through binding to a distal allosteric site
JE Hernandez Gonzalez, LN Alberca, Y Masforrol Gonzalez, ...
Journal of Chemical Information and Modeling 62 (1), 159-175, 2021
Positive predictive value surfaces as a complementary tool to assess the performance of virtual screening methods
JF Morales, S Chuguransky, LN Alberca, JI Alice, S Goicoechea, ME Ruiz, ...
Mini Reviews in Medicinal Chemistry 20 (14), 1447-1460, 2020
Molecular Topology and Other Promiscuity Determinants as Predictors of Therapeutic Class-A Theoretical Framework to Guide Drug Repositioning?
JF Morales, LN Alberca, S Chuguransky, ME Di Ianni, A Talevi, ME Ruiz
Current Topics in Medicinal Chemistry 18 (13), 1110-1122, 2018
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