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Article

Computer-assisted design of selective imidazole inhibitors for cytochrome p450 enzymes.

Journal of medicinal chemistry - 1 Jul 2004

Verras Andreas, Kuntz Irwin D, Ortiz de Montellano Paul R

Abstract excerpt

A modified version of the DOCK program has been used to predict inhibitors for cytochrome P450cam and its L244A mutant. A library of azole compounds was designed in silico and screened for binding to wild-type P450cam. Lead compounds were synthesized and found to inhibit wild-type P450cam. To test our approach to designing ligands that discriminate between closely related sites, the azole library was DOCKed into...

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Identifiers

PMID: 15214784
DOI: 10.1021/jm030608t

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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