细胞色素P 450代谢中分子识别的计算理解

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.

Cite this article as:

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