Publicacións (29) Publicacións de YUDIBETH SIXTO LÓPEZ

2024

  1. 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

  2. Solvation effects, structural, vibrational analysis, chemical reactivity, nanocages, ELF, LOL, docking and MD simulation on Sitagliptin

    Chemical Physics Impact, Vol. 8

  3. Synthesis, Solvent effects, Chemical reactivity, Molecular Docking and Molecular Dynamic Studies of Triazole derivative

    Journal of Molecular Structure, Vol. 1303

2023

  1. 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

  2. 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

  1. 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

  2. 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

  3. Dihydropyrazole-Carbohydrazide Derivatives with Dual Activity as Antioxidant and Anti-Proliferative Drugs on Breast Cancer Targeting the HDAC6

    Pharmaceuticals, Vol. 15, Núm. 6

  4. HDAC Inhibition as Neuroprotection in COVID-19 Infection

    Current Topics in Medicinal Chemistry, Vol. 22, Núm. 16, pp. 1369-1378

  5. In silico design of HDAC6 inhibitors with neuroprotective effects

    Journal of Biomolecular Structure and Dynamics, Vol. 40, Núm. 24, pp. 14204-14222

  6. Synthesis, characterization, molecular docking and molecular dynamics simulations of benzamide derivatives as potential anti-ovarian cancer agents

    Journal of Molecular Structure, Vol. 1269

  7. 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

  1. Docking Approaches Used in Epigenetic Drug Investigations

    Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications (Elsevier), pp. 367-390

  2. 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

  3. Structural insights into SARS-CoV-2 spike protein and its natural mutants found in Mexican population

    Scientific Reports, Vol. 11, Núm. 1

  4. 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

  1. 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

  2. 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

  3. Hydroxamic acid derivatives as HDAC1, HDAC6 and HDAC8 inhibitors with antiproliferative activity in cancer cell lines

    Scientific Reports, Vol. 10, Núm. 1

  4. Identification of the NADP+ structural binding site and coenzyme effect on the fused G6PD::6PGL protein from giardia lamblia

    Biomolecules, Vol. 10, Núm. 1