Potential antiplatelet agents with grape seed - backbone polyphenols: computational studies

The study focused on grape seed-derived polyphenols for their antiplatelet, anti-inflammatory, and fibrinolytic properties through molecular docking and dynamics simulations. Compounds were evaluated for their effects on P2Y12, PTP1B, thromboxane A2, and other targets. Compounds 1 and 6 showed stron...

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Bibliographic Details
Published in:Natural product research 2024-06, p.1-9
Main Authors: Mirzaei, Hassan, Hatemi, Bassim Mohammed Jabbar, Enayati, Ayesheh, Khori, Vahid, Jabbari, Ali, Salehi, Aref, Hojati, Mohamad Taher, Hossieni, Seyed Ghadir
Format: Article
Language:English
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Summary:The study focused on grape seed-derived polyphenols for their antiplatelet, anti-inflammatory, and fibrinolytic properties through molecular docking and dynamics simulations. Compounds were evaluated for their effects on P2Y12, PTP1B, thromboxane A2, and other targets. Compounds 1 and 6 showed strong inhibitory potential on P2Y12. Compounds 2 and 7, plus epigallocatechin gallate, demonstrated effective inhibition on NF-KB and COX1. The compounds exhibited drug-like properties and potential for new thrombotic disease therapies. The research sheds light on the interactions between polyphenols and target proteins, paving the way for novel antiplatelet strategies.
ISSN:1478-6419
1478-6427
1478-6427
DOI:10.1080/14786419.2024.2370039