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Exploring the Therapeutic Potential of Polydatin Through Molecular Docking Analysis: Insights into Anti-Cancer, Cardiovascular, and Neuroprotective Properties

Exploring the Therapeutic Potential of Polydatin Through Molecular Docking Analysis: Insights into Anti-Cancer, Cardiovascular, and Neuroprotective Properties

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Publication status: preprint

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Original abstract

This study employs molecular docking analysis to investigate the binding interactions of Polydatin (PD) with three key protein targets: UXS1 (UDP-Glucuronate Decarboxylase 1), Myeloperoxidase, and Monoamine Oxidase B (MAO B). The analysis reveals strong binding energies of -10 kcal/mol, indicating significant affinity between PD and these targets. Our previous preprint highlights PD's potential as an effective anti-cancer agent, particularly through its robust binding with UXS1. Addi tionally, our findings demonstrate effective binding of PD to Myeloperoxidase, suggesting its rele vance in cardiac research, and to MAO B, indicating potential implications in Parkinson's disease management. These results underscore the promising anti-cancer, cardiovascular, and neuroprotective properties of Polydatin.

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