YUDIBETH
SIXTO LÓPEZ
Publicaciones (29) Publicaciones de YUDIBETH SIXTO LÓPEZ
2024
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Molecular insight into endosulfan degradation by Ese protein from Arthrobacter: Evidence-based structural bioinformatics and quantum mechanical calculations
Proteins: Structure, Function and Bioinformatics, Vol. 92, Núm. 2, pp. 302-313
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Solvation effects, structural, vibrational analysis, chemical reactivity, nanocages, ELF, LOL, docking and MD simulation on Sitagliptin
Chemical Physics Impact, Vol. 8
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Synthesis, Solvent effects, Chemical reactivity, Molecular Docking and Molecular Dynamic Studies of Triazole derivative
Journal of Molecular Structure, Vol. 1303
2023
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Cytotoxic evaluation of YSL-109 in a triple negative breast cancer cell line and toxicological evaluations
Naunyn-Schmiedeberg's Archives of Pharmacology, Vol. 396, Núm. 6, pp. 1211-1222
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Design and simulation of a caprylic acid enzymatically modified phosphatidylcholine micelle using a coarse-grained molecular dynamics simulations approach
Journal of Biomolecular Structure and Dynamics, Vol. 41, Núm. 23, pp. 13902-13913
2022
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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
Journal of Molecular Structure, Vol. 1258
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Computational study of DMPC liposomes loaded with the N-(2-Hydroxyphenyl)-2-propylpentanamide (HO-AAVPA) and determination of its antiproliferative activity in vitro in NIH-3T3 cells
Journal of Biomolecular Structure and Dynamics, Vol. 40, Núm. 21, pp. 11448-11459
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Dihydropyrazole-Carbohydrazide Derivatives with Dual Activity as Antioxidant and Anti-Proliferative Drugs on Breast Cancer Targeting the HDAC6
Pharmaceuticals, Vol. 15, Núm. 6
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HDAC Inhibition as Neuroprotection in COVID-19 Infection
Current Topics in Medicinal Chemistry, Vol. 22, Núm. 16, pp. 1369-1378
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In silico design of HDAC6 inhibitors with neuroprotective effects
Journal of Biomolecular Structure and Dynamics, Vol. 40, Núm. 24, pp. 14204-14222
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Synthesis, characterization, molecular docking and molecular dynamics simulations of benzamide derivatives as potential anti-ovarian cancer agents
Journal of Molecular Structure, Vol. 1269
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Targeting Several Biologically Reported Targets of Glioblastoma Multiforme by Assaying 2D and 3D Cultured Cells
Cellular and Molecular Neurobiology, Vol. 42, Núm. 6, pp. 1909-1920
2021
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Docking Approaches Used in Epigenetic Drug Investigations
Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications (Elsevier), pp. 367-390
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Drug repositioning to target NSP15 protein on SARS-CoV-2 as possible COVID-19 treatment
Journal of Computational Chemistry, Vol. 42, Núm. 13, pp. 897-907
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Structural insights into SARS-CoV-2 spike protein and its natural mutants found in Mexican population
Scientific Reports, Vol. 11, Núm. 1
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Synthesis, spectroscopic characterization, molecular docking studies and DFT calculation of novel Mannich base 1-((4-ethylpiperazin-1-yl)(2-hydroxyphenyl)methyl)naphthalen-2-ol
Journal of Molecular Structure, Vol. 1246
2020
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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 disease
Experimental Gerontology, Vol. 136
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Exploring the inhibitory activity of valproic acid against the HDAC family using an MMGBSA approach
Journal of Computer-Aided Molecular Design, Vol. 34, Núm. 8, pp. 857-878
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Hydroxamic acid derivatives as HDAC1, HDAC6 and HDAC8 inhibitors with antiproliferative activity in cancer cell lines
Scientific Reports, Vol. 10, Núm. 1
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Identification of the NADP+ structural binding site and coenzyme effect on the fused G6PD::6PGL protein from giardia lamblia
Biomolecules, Vol. 10, Núm. 1