Version 1
: Received: 3 February 2024 / Approved: 5 February 2024 / Online: 5 February 2024 (10:58:54 CET)
How to cite:
Ferrari, I.V. Molecular Docking Simulations of Natural Compounds with Human Prostate-Specific Antigen (PSA) for Potential Therapeutic Applications. Preprints2024, 2024020214. https://doi.org/10.20944/preprints202402.0214.v1
Ferrari, I.V. Molecular Docking Simulations of Natural Compounds with Human Prostate-Specific Antigen (PSA) for Potential Therapeutic Applications. Preprints 2024, 2024020214. https://doi.org/10.20944/preprints202402.0214.v1
Ferrari, I.V. Molecular Docking Simulations of Natural Compounds with Human Prostate-Specific Antigen (PSA) for Potential Therapeutic Applications. Preprints2024, 2024020214. https://doi.org/10.20944/preprints202402.0214.v1
APA Style
Ferrari, I.V. (2024). Molecular Docking Simulations of Natural Compounds with Human Prostate-Specific Antigen (PSA) for Potential Therapeutic Applications. Preprints. https://doi.org/10.20944/preprints202402.0214.v1
Chicago/Turabian Style
Ferrari, I.V. 2024 "Molecular Docking Simulations of Natural Compounds with Human Prostate-Specific Antigen (PSA) for Potential Therapeutic Applications" Preprints. https://doi.org/10.20944/preprints202402.0214.v1
Abstract
This study employs molecular docking simulations using Autodock Vina with the Pyrx program to investigate the binding interactions between Human prostate-specific antigen (PSA) and natural compounds, namely Amentoflavone, Ginketin, Rutin, and Hypericin. The evaluation reveals excellent binding energy values, averaging around -10 kcal/mol, suggesting robust and favorable interactions between the selected compounds and PSA. The results provide valuable insights into the potential therapeutic applications of these natural compounds in the context of prostate cancer treatment or management. Further experimental validation is warranted to confirm these findings and explore the viability of these compounds as promising candidates for innovative therapeutic strategies. This research contributes to the growing body of knowledge in the field of molecular docking and its applications in drug discovery and bioinformatics.
Keywords
prostate-specific antigen (PSA); Autodock Vina; Pyrx program; Prostate cancer
Subject
Public Health and Healthcare, Other
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
