Molecular basis for benzimidazole resistance from a novel β-tubulin binding site model R Aguayo-Ortiz, O Méndez-Lucio, A Romo-Mancillas, R Castillo, ... Journal of Molecular Graphics and Modelling 45, 26-37, 2013 | 75 | 2013 |
Towards the identification of the binding site of benzimidazoles to β-tubulin of Trichinella spiralis: insights from computational and experimental data R Aguayo-Ortiz, O Méndez-Lucio, JL Medina-Franco, R Castillo, ... Journal of Molecular Graphics and Modelling 41, 12-19, 2013 | 55 | 2013 |
Resveratrol-salicylate derivatives as selective DNMT3 inhibitors and anticancer agents FS Aldawsari, R Aguayo-Ortiz, K Kapilashrami, J Yoo, M Luo, ... Journal of enzyme inhibition and medicinal chemistry 31 (5), 695-703, 2016 | 54 | 2016 |
Synthesis, hypoglycemic activity and molecular modeling studies of pyrazole-3-carbohydrazides designed by a CoMFA model E Hernández-Vázquez, R Aguayo-Ortiz, JJ Ramírez-Espinosa, ... European journal of medicinal chemistry 69, 10-21, 2013 | 52 | 2013 |
Linking biochemical and structural states of SERCA: achievements, challenges, and new opportunities R Aguayo-Ortiz, LM Espinoza-Fonseca International Journal of Molecular Sciences 21 (11), 4146, 2020 | 50 | 2020 |
Characterizing the structural ensemble of γ-secretase using a multiscale molecular dynamics approach R Aguayo-Ortiz, C Chávez-García, JE Straub, L Dominguez Chemical science 8 (8), 5576-5584, 2017 | 50 | 2017 |
Curcumin alters the cytoskeleton and microtubule organization on trophozoites of Giardia lamblia F Gutiérrez-Gutiérrez, L Palomo-Ligas, JM Hernández-Hernández, ... Acta Tropica 172, 113-121, 2017 | 40 | 2017 |
Anti-inflammatory and antioxidant properties of a novel resveratrol–salicylate hybrid analog FS Aldawsari, RP Aguiar, LAM Wiirzler, R Aguayo-Ortiz, N Aljuhani, ... Bioorganic & Medicinal Chemistry Letters 26 (5), 1411-1415, 2016 | 36 | 2016 |
Dwarf open reading frame (DWORF) is a direct activator of the sarcoplasmic reticulum calcium pump SERCA MLE Fisher, E Bovo, R Aguayo-Ortiz, EE Cho, MP Pribadi, MP Dalton, ... Elife 10, e65545, 2021 | 34 | 2021 |
Untying the knot of transcription factor druggability: Molecular modeling study of FOXM1 inhibitors SA Tabatabaei-Dakhili, R Aguayo-Ortiz, L Domínguez, ... Journal of Molecular Graphics and Modelling 80, 197-210, 2018 | 32 | 2018 |
Identification and characterization of novel receptor-interacting serine/threonine‐protein kinase 2 inhibitors using structural similarity analysis M Salla, R Aguayo-Ortiz, GI Danmaliki, A Zare, A Said, J Moore, V Pandya, ... Journal of Pharmacology and Experimental Therapeutics 365 (2), 354-367, 2018 | 27 | 2018 |
Synthesis, antiprotozoal activity, and chemoinformatic analysis of 2-(methylthio)-1H-benzimidazole-5-carboxamide derivatives: Identification of new selective giardicidal and … P Flores-Carrillo, JM Velázquez-López, R Aguayo-Ortiz, ... European Journal of Medicinal Chemistry 137, 211-220, 2017 | 27 | 2017 |
Influence of membrane lipid composition on the structure and activity of γ-secretase R Aguayo-Ortiz, JE Straub, L Dominguez Physical Chemistry Chemical Physics 20 (43), 27294-27304, 2018 | 26 | 2018 |
Simulating the γ-secretase enzyme: Recent advances and future directions R Aguayo-Ortiz, L Dominguez Biochimie 147, 130-135, 2018 | 22 | 2018 |
Effects of the Protonation State of Titratable Residues and the Presence of Water Molecules on Nocodazole Binding to β‐Tubulin DC Guzmán‐Ocampo, R Aguayo‐Ortiz, L Cano‐González, R Castillo, ... ChemMedChem 13 (1), 20-24, 2018 | 22 | 2018 |
Structure‐based approaches for the design of benzimidazole‐2‐carbamate derivatives as tubulin polymerization inhibitors R Aguayo‐Ortiz, L Cano‐González, R Castillo, A Hernández‐Campos, ... Chemical biology & drug design 90 (1), 40-51, 2017 | 20 | 2017 |
Overview of computer-aided drug design for epigenetic targets R Aguayo-Ortiz, E Fernández-de Gortari Epi-informatics, 21-52, 2016 | 19 | 2016 |
Design and synthesis of resveratrol–salicylate hybrid derivatives as CYP1A1 inhibitors FS Aldawsari, OH Elshenawy, MAM El Gendy, R Aguayo-Ortiz, S Baksh, ... Journal of enzyme inhibition and medicinal chemistry 30 (6), 884-895, 2015 | 19 | 2015 |
Toward the characterization of DAPT interactions with γ‐secretase R Aguayo‐Ortiz, DC Guzmán‐Ocampo, L Dominguez ChemMedChem 14 (10), 1005-1010, 2019 | 18 | 2019 |
Synthesis of a poly (ester) dendritic β-cyclodextrin derivative by “click” chemistry: Combining the best of two worlds for complexation enhancement LJ López-Méndez, I Gonzalez-Mendez, R Aguayo-Ortiz, L Dominguez, ... Carbohydrate polymers 184, 20-29, 2018 | 18 | 2018 |