| 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 | 58 | 2022 |
| 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 | 51 | 2020 |
| Hydroxamic acid derivatives as HDAC1, HDAC6 and HDAC8 inhibitors with antiproliferative activity in cancer cell lines JCB Yudibeth Sixto-López, José Antonio Gómez-Vidal, Nuria de Pedro ... scientific Reports, 2020 | 45 | 2020 |
| Insights into structural features of HDAC1 and its selectivity inhibition elucidated by Molecular dynamic simulation and Molecular Docking JCB Yudibeth Sixto-López, Martiniano Bello Journal of Biomolecular Structure and Dynamics, 2018 | 44* | 2018 |
| Synthesis, characterization, molecular docking and molecular dynamics simulations of benzamide derivatives as potential anti-ovarian cancer agents G Raja, G Venkatesh, JS Al-Otaibi, P Vennila, YS Mary, Y Sixto-López Journal of Molecular Structure 1269, 133785, 2022 | 41 | 2022 |
| Synthesis, spectroscopic characterization, molecular docking studies and DFT calculation of novel Mannich base 1-((4-ethylpiperazin-1-yl)(2-hydroxyphenyl)methyl)naphthalen-2-ol BLR P. Vennila, G. Venkatesh, YudibethSixto-López, C.Kamal, S.Kaya, G.Serdaroğlu Journal of Molecular Structure 131164 (1), 18, 2021 | 41* | 2021 |
| Structural insights into SARS‑CoV‑2 spike protein and its natural mutants found in Mexican population SM Yudibeth Sixto-Lopez, José Correa-Basurto, Martiniano Bello, Bruno ... Scientific Reports 11 (4659), 2021 | 35 | 2021 |
| Searching the conformational complexity and binding properties of HDAC6 through docking and molecular dynamic simulations Y Sixto-López, M Bello, RA Rodríguez-Fonseca, MC Rosales-Hernández, ... Journal of Biomolecular Structure and Dynamics 35 (13), 2794-2814, 2017 | 29 | 2017 |
| Exploring the potential binding sites of some known HDAC inhibitors on some HDAC8 conformers by docking studies Y Sixto-López, JA Gómez-Vidal, J Correa-Basurto Applied biochemistry and biotechnology 173, 1907-1926, 2014 | 27 | 2014 |
| Structural and energetic basis for the inhibitory selectivity of both catalytic domains of dimeric HDAC6 CBJ Sixto-López Yudibeth, Bello Martiniano journal of biomolecular structures and Dynamics, 2018 | 19* | 2018 |
| Drug repositioning to target NSP15 protein on SARS‐CoV‐2 as possible COVID‐19 treatment Y Sixto‐López, M Martínez‐Archundia Journal of computational chemistry 42 (13), 897-907, 2021 | 18 | 2021 |
| N-(2′-Hydroxyphenyl)-2-Propylpentanamide (HO-AAVPA) Inhibits HDAC1 and Increases the Translocation of HMGB1 Levels in Human Cervical Cancer Cells EARJCB Yudibeth Sixto-López, Martha Cecilia Rosales-Hernández, Arturo Contis ... International Journal of Molecular Sciences 21, 2020 | 14 | 2020 |
| O-alkyl hydroxamates display potent and selective antileishmanial activity SPFFALFJFDSFMMFFMMDGJCBJLVMLVJPPMCNPJMSJAGV Victoriano Corpas-López, Mavys ... Journal of medicinal Chemistry, 2020 | 14 | 2020 |
| Synthesis, solvent effects, chemical reactivity, molecular docking and molecular dynamic studies of triazole derivative G Venkatesh, Y Sixto-López, P Vennila, V Siva, P Sumathi Journal of Molecular Structure 1303, 137561, 2024 | 10 | 2024 |
| Solvation effects, structural, vibrational analysis, chemical reactivity, nanocages, ELF, LOL, docking and MD simulation on Sitagliptin G Venkatesh, S Haseena, P Vennila, Y Sixto López, V Siva, ... Elsevier, 2024 | 10 | 2024 |
| Design, synthesis and biological evaluation of a phenyl butyric acid derivative, N-(4-chlorophenyl)-4-phenylbutanamide: A HDAC6 inhibitor with anti-proliferative activity on … Anti-Cancer Agents in Medicinal Chemistry 17, 2017 | 10* | 2017 |
| HDAC inhibition as neuroprotection in COVID-19 infection Y Sixto-López, J Correa-Basurto Current topics in medicinal chemistry 22 (16), 1369-1378, 2022 | 9 | 2022 |
| DNA methylation of the RE-1 silencing transcription factor in peripheral blood mononuclear cells and gene expression of antioxidant enzyme in patients with late-onset Alzheimer … IGMNMPVMGCBMCRHYSLM los Ángeles Martínez GodinezaAaron DomínguezLópezaAngel ... Experimental Gerontology, 2020 | 9 | 2020 |
| Three amino acid derivatives of valproic acid: Design, synthesis, theoretical and experimental evaluation as anticancer agents G R. Luna-Palencia, F Martínez-Ramos, I Vásquez-Moctezuma, ... Anti-Cancer Agents in Medicinal Chemistry-Anti-Cancer Agents) 14 (7), 984-993, 2014 | 8 | 2014 |
| Identification of the NADP+ Structural Binding Site and Coenzyme Effect on the Fused G6PD::6PGL Protein from Giardia lamblia biomolecules 10 (1), 2019 | 7 | 2019 |
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