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Cover Picture
Cover Picture: Mechanistic Insights into Cyclooxygenase Irreversible Inactivation by Aspirin (ChemMedChem 6/2009)
Article first published online: 28 MAY 2009
DOI: 10.1002/cmdc.200990026
Copyright © 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Additional Information
How to Cite
Tosco, P. and Lazzarato, L. (2009), Cover Picture: Mechanistic Insights into Cyclooxygenase Irreversible Inactivation by Aspirin (ChemMedChem 6/2009). ChemMedChem, 4: 885. doi: 10.1002/cmdc.200990026
Publication History
- Issue published online: 28 MAY 2009
- Article first published online: 28 MAY 2009
- Abstract
- Cited By
Keywords:
- aspirin;
- acylation;
- cyclooxygenases;
- enzyme catalysis;
- quantum chemistry
Abstract
The cover picture shows aspirin docked in the active site of ovine COX-1. According to the results of this QM/MM study, this is the conformation likely to trigger Ser 530 acetylation under general base catalysis by the carboxylate group of aspirin. The hydroxy group of Tyr 385 proved to play a key role in orienting and polarizing the acetyl moiety, as previously postulated by Hochgesang et al. on the basis of site-directed mutagenesis experiments. For more details, see the Communication by P. Tosco and L. Lazzarato on p. 939 ff.