Title : Mechanism of the irreversible inhibition of human cyclooxygenase-1 by aspirin as predicted by QM/MM calculations.

Pub. Date : 2013 Mar

PMID : 23384979






1 Functional Relationships(s)
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1 In this study the putative structure of human cyclooxygenase-1 was constructed from ovine cyclooxygenase-1 by homology modeling, and the acetylsalicylic acid was docked into the arachidonic acid binding cavity of the enzyme. Arachidonic Acid prostaglandin-endoperoxide synthase 1 Homo sapiens