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

doi:10.2174/0929867325666180226104126

摘要

细胞色素P 450是一种能够代谢多种药物的酶。他们对药物发现的重大影响导致了大量的计算机和实验研究，以便探索一个化学实体是如何对代谢酶产生反应的。我们概述了基于配体和基于结构的方法，以及有关结构、生物学、a等方面的相关信息。这些酶的相关性。

关键词: 细胞色素P 450，药物代谢，对接，三维-QSAR，分子动力学，晶体结构，代谢位点。

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Current Medicinal Chemistry

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

Volume: 25 Issue: 28

关键词: 细胞色素P 450，药物代谢，对接，三维-QSAR，分子动力学，晶体结构，代谢位点。

摘要: 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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Toward Computational Understanding of Molecular Recognition in the Human Metabolizing Cytochrome P450s, Current Medicinal Chemistry 2018; 25 (28) . https://dx.doi.org/10.2174/0929867325666180226104126

DOI https://dx.doi.org/10.2174/0929867325666180226104126	Print ISSN 0929-8673
Publisher Name Bentham Science Publisher	Online ISSN 1875-533X