Depresión en la infancia y adolescencia: enfermedad de nuestro tiempo. ME Acosta-Hernández, T Mancilla-Percino, J Correa-Basurto, ... Archivos de neurociencias 16 (1), 2011 | 118 | 2011 |
Exploration of human serum albumin binding sites by docking and molecular dynamics flexible ligand–protein interactions O Deeb, MC Rosales‐Hernández, C Gómez‐Castro, R Garduño‐Juárez, ... Biopolymers: Original Research on Biomolecules 93 (2), 161-170, 2010 | 109 | 2010 |
Current tools and methods in molecular dynamics (MD) simulations for drug design M Hernández-Rodríguez, M C Rosales-Hernández, J E Mendieta-Wejebe, ... Current medicinal chemistry 23 (34), 3909-3924, 2016 | 90 | 2016 |
Design, synthesis and biological evaluation of quinazoline derivatives as anti-trypanosomatid and anti-plasmodial agents C Mendoza-Martínez, J Correa-Basurto, R Nieto-Meneses, ... European journal of medicinal chemistry 96, 296-307, 2015 | 83 | 2015 |
Automated docking for novel drug discovery M Bello, M Martínez-Archundia, J Correa-Basurto Expert opinion on drug discovery 8 (7), 821-834, 2013 | 82 | 2013 |
Docking and quantum mechanic studies on cholinesterases and their inhibitors J Correa-Basurto, C Flores-Sandoval, J Marín-Cruz, A Rojo-Domínguez, ... European journal of medicinal chemistry 42 (1), 10-19, 2007 | 76 | 2007 |
Deciphering the GPER/GPR30-agonist and antagonists interactions using molecular modeling studies, molecular dynamics, and docking simulations D Méndez-Luna, M Martínez-Archundia, RC Maroun, G Ceballos-Reyes, ... Journal of Biomolecular Structure and Dynamics 33 (10), 2161-2172, 2015 | 75 | 2015 |
The effects of (−)-epicatechin on endothelial cells involve the G protein-coupled estrogen receptor (GPER) A Moreno-Ulloa, D Mendez-Luna, E Beltran-Partida, C Castillo, ... Pharmacological research 100, 309-320, 2015 | 68 | 2015 |
In vitro and in silico studies of terpenes, terpenoids and related compounds with larvicidal and pupaecidal activity against Culex quinquefasciatus Say (Diptera: Culicidae) S Andrade-Ochoa, J Correa-Basurto, LM Rodríguez-Valdez, ... Chemistry Central Journal 12, 1-21, 2018 | 56 | 2018 |
p–Aminobenzoic acid derivatives as acetylcholinesterase inhibitors J Correa-Basurto, IV Alcántara, LM Espinoza-Fonseca, JG Trujillo-Ferrara European journal of medicinal chemistry 40 (7), 732-735, 2005 | 56 | 2005 |
An investigation on the molecular structure, interaction with metal clusters, anti-Covid-19 ability of 2-deoxy-D-glucose: DFT calculations, MD and docking simulations G Venkatesh, Y Sixto-López, P Vennila, YS Mary, J Correa-Basurto, ... Journal of Molecular Structure 1258, 132678, 2022 | 55 | 2022 |
Asp32 and Asp228 determine the selective inhibition of BACE1 as shown by docking and molecular dynamics simulations M Hernández-Rodríguez, J Correa-Basurto, A Gutiérrez, J Vitorica, ... European journal of medicinal chemistry 124, 1142-1154, 2016 | 54 | 2016 |
Antileishmanial activity of quinazoline derivatives: Synthesis, docking screens, molecular dynamic simulations and electrochemical studies C Mendoza-Martínez, N Galindo-Sevilla, J Correa-Basurto, ... European Journal of Medicinal Chemistry 92, 314-331, 2015 | 54 | 2015 |
Antihyperglycemic activity of the leaves from Annona cherimola miller and rutin on alloxan-induced diabetic rats F Calzada, JI Solares-Pascasio, RM Ordoñez-Razo, C Velazquez, ... Pharmacognosy research 9 (1), 1, 2017 | 48 | 2017 |
Exploration of the valproic acid binding site on histone deacetylase 8 using docking and molecular dynamic simulations JA Bermúdez-Lugo, O Perez-Gonzalez, MC Rosales-Hernández, ... Journal of molecular modeling 18, 2301-2310, 2012 | 48 | 2012 |
Exploring the inhibitory activity of valproic acid against the HDAC family using an MMGBSA approach Y Sixto-López, M Bello, J Correa-Basurto Journal of Computer-Aided Molecular Design 34, 857-878, 2020 | 46 | 2020 |
N-(2-hydroxyphenyl)-2-propylpentanamide, a valproic acid aryl derivative designed in silico with improved anti-proliferative activity in HeLa, rhabdomyosarcoma … B Prestegui-Martel, JA Bermúdez-Lugo, A Chávez-Blanco, ... Journal of enzyme inhibition and medicinal chemistry 31 (sup3), 140-149, 2016 | 42 | 2016 |
Identification of the antiepileptic racetam binding site in the synaptic vesicle protein 2A by molecular dynamics and docking simulations J Correa-Basurto, RI Cuevas-Hernández, BV Phillips-Farfán, ... Frontiers in cellular neuroscience 9, 125, 2015 | 41 | 2015 |
Insights into structural features of HDAC1 and its selectivity inhibition elucidated by Molecular dynamic simulation and Molecular Docking Y Sixto-López, M Bello, J Correa-Basurto Journal of Biomolecular Structure and Dynamics 37 (3), 584-610, 2019 | 40 | 2019 |
Hydroxamic acid derivatives as HDAC1, HDAC6 and HDAC8 inhibitors with antiproliferative activity in cancer cell lines Y Sixto-López, JA Gómez-Vidal, N de Pedro, M Bello, ... Scientific reports 10 (1), 10462, 2020 | 39 | 2020 |