Molecular docking of phytochemical compounds in Cucurbita maxima with anti-prostate cancer activity

Authors

  • Chinyere B.C. Ikpa IMO State University Owerri Nigeria
  • Nneoma Ngozika Chidozie-Ikpa Alex-Ekwueme Fedral University of Ndufu Alike Ikwo, Nigeria

Keywords:

Prostate cancer, Phytochemicals, Molecular docking, cancer drug, Heterocyclic drugs

Abstract

Cucurbita maxima seeds are used in traditional medicine for the treatment of urinary disorders, blood pressure regulation and prevention of constipation, also for wound healing with dermal application, and recently for prostate cancer treatment. The objective of present study was to identify the medicinal compounds present in chloroform extract of the seeds of Cucurbita maxima using Gas chromatography mass Spectroscopy (GCMS). The phytochemicals identified were further assayed to determine the compounds associated with anti-prostate activity using in silico molecular docking. The GCMS analysis revealed the presence of twenty-three (23) compounds. The molecular docking of the compounds against Human Androgen Receptor Ligand binding showed that the compounds had good binding affinity against the target protein. However, two compounds, Stigmasterol (-8.5 kcal/mol), and Bacchotricuneatin C (-7.7 kcal/mol) had better binding affinity than the control anti-prostate cancer drug, Enzalutamide (-7.6kcal/mol). Consequently, the results validate the use of the seed of cucurbita maxima as an anti-prostate cancer agent.

URN:NBN:sciencein.jmc.2024.685

Author Biographies

  • Chinyere B.C. Ikpa, IMO State University Owerri Nigeria

    Department of Chemistry

  • Nneoma Ngozika Chidozie-Ikpa, Alex-Ekwueme Fedral University of Ndufu Alike Ikwo, Nigeria

    Departement of Haematology and Immunology

cucumber for prostate cancer treatment

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Published

2024-01-31

Issue

Section

Molecular Simulations

URN

How to Cite

Molecular docking of phytochemical compounds in Cucurbita maxima with anti-prostate cancer activity. (2024). Journal of Molecular Chemistry, 4(1), 685. https://pubs.thesciencein.org/journal/index.php/jmc/article/view/a685

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