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Molecular Docking Simulations of Natural Compounds with Human Prostate-Specific Antigen (PSA) for Potential Therapeutic Applications

2024-02-05

Abstract excerpt

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...

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Literature Corpus work
735e9ae3-50d7-57bc-bc43-71dcde23f983
DOI
10.20944/preprints202402.0214.v1
Open publication

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Molecular Docking Simulations of Natural Compounds with Human Prostate-Specific Antigen (PSA) for Potential Therapeutic ApplicationsDOI 10.20944/preprints202402.0214.v1
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