| 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 | 89 | 2016 |
| 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 |
| QSAR, docking, dynamic simulation and quantum mechanics studies to explore the recognition properties of cholinesterase binding sites J Correa-Basurto, M Bello, MC Rosales-Hernandez, ... Chemico-biological interactions 209, 1-13, 2014 | 38 | 2014 |
| Mapping myeloperoxidase to identify its promiscuity properties using docking and molecular dynamics simulations LA Ramírez-Durán, MC Rosales-Hernández, M Hernández-Rodríguez, ... Current pharmaceutical design 19 (12), 2204-2215, 2013 | 31 | 2013 |
| In vitro and in silico evaluation of fucosterol from Sargassum horridum as potential human acetylcholinesterase inhibitor ES Castro-Silva, M Bello, M Hernández-Rodríguez, J Correa-Basurto, ... Journal of Biomolecular Structure and Dynamics, 2018 | 28 | 2018 |
| In Vitro Effect of H2O2, Some Transition Metals and Hydroxyl Radical Produced Via Fenton and Fenton-Like Reactions, on the Catalytic Activity of AChE and the … A Méndez-Garrido, M Hernández-Rodríguez, R Zamorano-Ulloa, ... Neurochemical research 39, 2093-2104, 2014 | 28 | 2014 |
| Design of Multi-Target Compounds as AChE, BACE1, and Amyloid-β1-42 Oligomerization Inhibitors: In Silico and In Vitro Studies RHMC Hernández-Rodríguez M, Correa-Basurto J, Martínez-Ramos F, Padilla ... Journal of Alzheimer Disease 41 (4), 1073-1085, 2014 | 28 | 2014 |
| Chronic administration of scopolamine increased GSK3βP9, beta secretase, amyloid beta, and oxidative stress in the hippocampus of Wistar rats M Hernández-Rodríguez, IM Arciniega-Martínez, ID García-Marín, ... Molecular Neurobiology 57, 3979-3988, 2020 | 26 | 2020 |
| In silico and in vitro studies to elucidate the role of Cu2+ and galanthamine as the limiting step in the amyloid beta (1–42) fibrillation process M Hernández‐Rodríguez, J Correa‐Basurto, CG Benitez‐Cardoza, ... Protein Science 22 (10), 1320-1335, 2013 | 23 | 2013 |
| Computational Studies of Aflatoxin B1 (AFB1): A Review J Martínez, M Hernández-Rodríguez, A Méndez-Albores, G Téllez-Isaías, ... Toxins 15 (2), 135, 2023 | 20 | 2023 |
| Fucosterol from Sargassum horridum as an amyloid-beta (Aβ1-42) aggregation inhibitor: in vitro and in silico studies ES Castro-Silva, M Bello, MC Rosales-Hernández, J Correa-Basurto, ... Journal of Biomolecular Structure and Dynamics 39 (4), 1271-1283, 2021 | 17 | 2021 |
| Pharmacokinetics and tissue distribution of N-(2-hydroxyphenyl)-2-propylpentanamide in Wistar Rats and its binding properties to human serum albumin AM Correa-Basurto, A Romero-Castro, J Correa-Basurto, ... Journal of Pharmaceutical and Biomedical Analysis 162, 130-139, 2019 | 15 | 2019 |
| Virtual and In Vitro Screens Reveal a Potential Pharmacophore that Avoids the Fibrillization of Aβ1–42 M Hernández-Rodríguez, J Correa-Basurto, MI Nicolás-Vázquez, ... PLoS One 10 (7), e0130263, 2015 | 15 | 2015 |
| Inhibition of Astrocytic Histamine N-Methyltransferase as a Possible Target for the Treatment of Alzheimer’s Disease C Flores-Clemente, MI Nicolás-Vázquez, E Mera Jiménez, ... Biomolecules 11 (10), 1408, 2021 | 12 | 2021 |
| Computational Characterization of Perezone, Isoperezone and their Sulfur‐Derivatives: Anti‐inflammatory Activity. J Martínez, MH Rodríguez, R Escobedo‐González, MI Nicolás‐Vázquez, ... ChemistrySelect 4 (45), 13333-13346, 2019 | 11 | 2019 |
| Molecular docking and molecular dynamics simulation to evaluate compounds that avoid the amyloid beta 1-42 aggregation MH Rodríguez, LGF Morales, JC Basurto, MCR Hernández Computational modeling of drugs against Alzheimer’s disease, 229-248, 2018 | 11 | 2018 |
| Novel 5-aminosalicylic derivatives as anti-inflammatories and myeloperoxidase inhibitors evaluated in silico, in vitro and ex vivo. RHMC Cabrera Perez LC, Guitierrez Sanchéz M, Mendieta Wejebe JE, Hernández ... Arabian Journal of Chemistry, 2017 | 11* | 2017 |
| In vitro and computational studies of natural products related to perezone as anti-neoplastic agents M Hernández-Rodríguez, PIM Sánchez, MEM Perez, ER Cruz, ... Biochimie 171, 158-169, 2020 | 10 | 2020 |
| C Rosales-Hernández M., E Mendieta-Wejebe J., Martínez-Archundia M., Correa Basurto J. Current tools and methods in Molecular Dynamics (MD) simulations for drug design M Hernández-Rodríguez Curr. Med. Chem 23, 3909-3924, 2016 | 10 | 2016 |
| Aromatic regions govern the recognition of NADPH oxidase inhibitors as diapocynin and its analogues ME Macías Pérez, M Hernandez Rodriguez, LC Cabrera Perez, ... Archiv der Pharmazie 350 (10), 1700041, 2017 | 8 | 2017 |
