Publikationen in Zusammenarbeit mit Forschern von Instituto Politécnico Nacional (26)

2024

  1. Daidzein and Equol: Ex Vivo and In Silico Approaches Targeting COX-2, iNOS, and the Canonical Inflammasome Signaling Pathway

    Pharmaceuticals, Vol. 17, Núm. 5

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. 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

  5. N-(2′-hydroxyphenyl)-2-propylpentanamide (ho-aavpa) inhibits hdac1 and increases the translocation of hmgb1 levels in human cervical cancer cells

    International Journal of Molecular Sciences, Vol. 21, Núm. 16, pp. 1-14

  6. O-Alkyl Hydroxamates Display Potent and Selective Antileishmanial Activity

    Journal of Medicinal Chemistry, Vol. 63, Núm. 11, pp. 5734-5751

  7. Vorinostat, a possible alternative to metronidazole for the treatment of amebiasis caused by Entamoeba histolytica

    Journal of Biomolecular Structure and Dynamics