Toward Computational Understanding of Molecular Recognition in the Human Metabolizing Cytochrome P450s

Author(s): Maria Kontoyianni*, Brett Lacy.

Journal Name: Current Medicinal Chemistry

Volume 25 , Issue 28 , 2018

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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.

Keywords: Cytochrome P450, drug metabolism, docking, 3D-QSAR, molecular dynamics, crystal structures, sites of metabolism.

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Article Details

VOLUME: 25
ISSUE: 28
Year: 2018
Page: [3353 - 3373]
Pages: 21
DOI: 10.2174/0929867325666180226104126
Price: $58

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