All Stories

  1. Synthesis, Spectroscopic Characterization, Drug‐Likeness, and Antibacterial Activity of a Novel Triazole Derivative

    Article • ChemistrySelect, September 2025, Wiley

    PhD Yudibeth Sixto-López

  2. Molecular dynamics, docking and quantum calculations reveal conformational changes influenced by CYP271A amino acid mutations related to cerebrotendinous xanthomatosis

    Article • Scientific Reports, March 2025, Springer Science + Business Media

    PhD Yudibeth Sixto-López

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

    Article • Chemical Physics Impact, June 2024, Elsevier

    PhD Yudibeth Sixto-López

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

    Article • Pharmaceuticals, May 2024, MDPI AG

    PhD Yudibeth Sixto-López

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

    Article • Journal of Molecular Structure, May 2024, Elsevier

    PhD Yudibeth Sixto-López

  6. Editorial: Use of computational tools for designing epigenetic drugs

    Article • Frontiers in Drug Discovery, February 2024, Frontiers

    PhD Yudibeth Sixto-López

  7. Molecular insight into endosulfan degradation by Ese protein from Arthrobacter: Evidence‐based structural bioinformatics and quantum mechanical calculations

    Article • Proteins Structure Function and Bioinformatics, October 2023, Wiley

    PhD Yudibeth Sixto-López

  8. Design and simulation of a caprylic acid enzymatically modified phosphatidylcholine micelle using a coarse-grained molecular dynamics simulations approach

    Article • Journal of Biomolecular Structure and Dynamics, February 2023, Taylor & Francis

    PhD Yudibeth Sixto-López

  9. Cytotoxic evaluation of YSL-109 in a triple negative breast cancer cell line and toxicological evaluations

    Article • Naunyn-Schmiedeberg s Archives of Pharmacology, January 2023, Springer Science + Business Media

    PhD Yudibeth Sixto-López

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

    Article • Journal of Molecular Structure, December 2022, Elsevier

    PhD Yudibeth Sixto-López

  11. 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

    Article • Journal of Molecular Structure, June 2022, Elsevier

    PhD Yudibeth Sixto-López

  12. HDAC Inhibition as Neuroprotection in COVID-19 Infection

    Article • Current Topics in Medicinal Chemistry, June 2022, Bentham Science Publishers

    PhD Yudibeth Sixto-López

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

    Article • Pharmaceuticals, May 2022, MDPI AG

    PhD Yudibeth Sixto-López

  14. Synthesis, spectroscopic characterization, molecular docking studies and DFT calculation of novel Mannich base 1-((4-ethylpiperazin-1-yl)(2-hydroxyphenyl)methyl)naphthalen-2-ol

    Article • Journal of Molecular Structure, December 2021, Elsevier

    PhD Yudibeth Sixto-López

  15. In silico design of HDAC6 inhibitors with neuroprotective effects

    Article • Journal of Biomolecular Structure and Dynamics, November 2021, Taylor & Francis

    PhD Yudibeth Sixto-López

  16. 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

    Article • Journal of Biomolecular Structure and Dynamics, July 2021, Taylor & Francis

    PhD Yudibeth Sixto-López

  17. Targeting Several Biologically Reported Targets of Glioblastoma Multiforme by Assaying 2D and 3D Cultured Cells

    Article • Cellular and Molecular Neurobiology, March 2021, Springer Science + Business Media

    PhD Yudibeth Sixto-López, M Jonathan Fragoso Vázquez

  18. Drug repositioning Nsp15 of SARS-COV-2 for treatment of Covid-19

    Article • Journal of Computational Chemistry, March 2021, Wiley

    PhD Yudibeth Sixto-López

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

    Article • Scientific Reports, February 2021, Springer Science + Business Media

    PhD Yudibeth Sixto-López

  20. Docking Approaches Used in Epigenetic Drug Investigations

    Article • January 2021, Elsevier

    PhD Yudibeth Sixto-López

  21. N-(2′-Hydroxyphenyl)-2-Propylpentanamide (HO-AAVPA) Inhibits HDAC1 and Increases the Translocation of HMGB1 Levels in Human Cervical Cancer Cells

    Article • International Journal of Molecular Sciences, August 2020, MDPI AG

    PhD Yudibeth Sixto-López

  22. Structural insights into spike protein and its natural variants of SARS-CoV-2 found on Mexican population.

    Article • August 2020, Research Square

    PhD Yudibeth Sixto-López

  23. 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

    Article • Experimental Gerontology, July 2020, Elsevier

    PhD Yudibeth Sixto-López

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

    Article • Scientific Reports, June 2020, Springer Science + Business Media

    PhD Yudibeth Sixto-López

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

    Article • Journal of Medicinal Chemistry, May 2020, American Chemical Society (ACS)

    PhD Yudibeth Sixto-López

  26. Exploring the inhibitory activity of valproic acid against the HDAC family using an MMGBSA approach

    Article • Journal of Computer-Aided Molecular Design, March 2020, Springer Science + Business Media

    PhD Yudibeth Sixto-López

  27. Identification of the NADP+ Structural Binding Site and Coenzyme Effect on the Fused G6PD::6PGL Protein from Giardia lamblia

    Article • Biomolecules, December 2019, MDPI AG

    PhD Yudibeth Sixto-López

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

    Article • Journal of Biomolecular Structure and Dynamics, February 2019, Taylor & Francis

    Dr. Patricia Talamás-Rohana, Jesús Carlos Ruvalcaba Ledezma, PhD Yudibeth Sixto-López

  29. Structural and energetic basis for the inhibitory selectivity of both catalytic domains of dimeric HDAC6

    Article • Journal of Biomolecular Structure and Dynamics, December 2018, Taylor & Francis

    Jose Correa Basurto, PhD Yudibeth Sixto-López

  30. Insights into structural features of HDAC1 and its selectivity inhibition elucidated by Molecular dynamic simulation and Molecular Docking

    Article • Journal of Biomolecular Structure and Dynamics, March 2018, Taylor & Francis

    Jose Correa Basurto, PhD Yudibeth Sixto-López

  31. Design, Synthesis and Biological Evaluation of a Phenyl Butyric Acid Derivative, N-(4-chlorophenyl)-4-phenylbutanamide: A HDAC6 Inhibitor with Anti-proliferative Activity on Cervix Cancer and Leukemia Cells

    Article • Anti-Cancer Agents in Medicinal Chemistry, October 2017, Bentham Science Publishers

    Jose Correa Basurto, PhD Yudibeth Sixto-López

  32. Searching the conformational complexity and binding properties of HDAC6 through docking and molecular dynamic simulations

    Article • Journal of Biomolecular Structure and Dynamics, September 2016, Taylor & Francis

    PhD Yudibeth Sixto-López

  33. Exploring the Potential binding Sites of Some Known HDAC Inhibitors on Some HDAC8 Conformers by Docking Studies

    Article • Applied Biochemistry and Biotechnology, June 2014, Springer Science + Business Media

    PhD Yudibeth Sixto-López

  34. Three Amino Acid Derivatives of Valproic Acid: Design, Synthesis, Theoretical and Experimental Evaluation as Anticancer Agents

    Article • Anti-Cancer Agents in Medicinal Chemistry, January 2014, Bentham Science Publishers

    PhD Yudibeth Sixto-López