[细胞色素P450三维结构的计算机建模：问题与前景]

[Computer modeling the cytochrome P450 three-dimensional structure: problems and prospects].

作者信息

Ivanov A S, Skvortsov V S, Sechenykh A A, Dubanov A V, Lisitsa A V

机构信息

Orekhovich Institute of Biomedical Chemistry of Russian Academy of Medical Sciences, Pogodinskaya str. 10, Moscow, 119121, Russia.

出版信息

Biomed Khim. 2003 May-Jun;49(3):221-37.

PMID:14564732

Abstract

The review is devoted to the description of basic approaches, problems and prospects of computer modelling of 3D structures of cytochromes P450 (P450s). The following questions have been are considered in the review: (1) the role of computer molecular modelling in P450s research; (2) basic stages of homology modelling of protein 3D structures; (3) purposes and tasks of molecular modelling; (4) problems of P450s homology modelling; (5) criteria for successful P450s homology modelling; (6) methods of P450s models refinement, verification of correctness and reliability.

摘要

这篇综述致力于描述细胞色素P450（P450s）三维结构计算机建模的基本方法、问题和前景。综述中考虑了以下问题：（1）计算机分子建模在P450s研究中的作用；（2）蛋白质三维结构同源建模的基本阶段；（3）分子建模的目的和任务；（4）P450s同源建模的问题；（5）P450s同源建模成功的标准；（6）P450s模型优化、正确性和可靠性验证的方法。