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Updated: Feb 13, 2026

A General Method for Detecting Nitrosamide Formation in the In Vitro Metabolism of Nitrosamines by Cytochrome P450s
Published on: September 25, 2017
Toward Computational Understanding of Molecular Recognition in the Human Metabolizing Cytochrome P450s
Maria Kontoyianni1, Brett Lacy1
1Department of Pharmaceutical Sciences, Southern Illinois University Edwardsville, Edwardsville, Illinois 62026, United States.
Abstract:
Cytochrome P450s are enzymes capable of metabolizing a wide variety of drugs. Their significant impact in drug discovery has led to extensive research, computationally and experimentally, in order to explore how a chemical entity responds to metabolizing enzymes. We present an overview of ligand-based and structure-based methodologies, along with pertinent information on the structures, biology, and relevance of these enzymes.
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