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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 tes...

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Identifiers

PMID: 15214784
DOI: 10.1021/jm030608t

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 1 Sept 2026. Prepared record publication-15214784-2026-09-01.1. Manifest publication-graph-cohort-2026-09-01.1.

Source receipt: PubMed via Helena Literature Corpus, retrieved 1 Sept 2026.

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