Mechanistic insights into cyclooxygenase irreversible inactivation by aspirin.
نویسندگان
چکیده
A mechanistic hypothesis for the acetylation of cyclooxygenase (COX) by aspirin is proposed on the basis of a QM/MM study. This mechanism is consistent with previous experimental findings by other investigators. Ser 530 appears to be acetylated under intramolecular general base catalysis provided by the carboxylate moiety of aspirin, while Tyr 385 plays a crucial role in orienting and polarizing the acetyl group.
منابع مشابه
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عنوان ژورنال:
- ChemMedChem
دوره 4 6 شماره
صفحات -
تاریخ انتشار 2009