《生命科学》 2010, 22(10): 1035-1042

计算系统生物学：理论、方法及在药物研发中的应用

刁妍妍1， 蔡超前2， 蒋华良3*， 李洪林1， 2*

(1华东理工大学药学院，上海200237；2华东理工大学信息科学与工程学院，上海200237；3中国科学院上海药物研究所药物发现与设计中心，上海201203)

摘　要：

摘　要：计算系统生物学是一个多学科交叉的新兴领域，旨在通过整合海量数据建立其生物系统相互作用的复杂网络。数据的整合和模型的建立需要发展合适的数学方法和软件工具，这也是计算系统生物学的主要任务。生物系统模型有助于从整体上理解生物体的内在功能和特性。同时，生物网络模型在药物研发中的应用也越来越受到制药企业以及新药研发机构的重视，如用于特异性药物作用靶点的预测和药物毒性评估等。该文简要介绍计算系统生物学的常见网络和计算模型，以及建立模型所用的研究方法，并阐述其在建模和分析中的作用及面临的问题和挑战。
关键字：计算系统生物学；生物模型；建模方法
中图分类号：Q-1; Q-31   文献标识码：A

Computational systems biology: theory， method and applications in drug discovery

DIAO Yan-yan1， CAI Chao-qian2， JIANG Hua-liang3*， LI Hong-lin1，2*

(1 School of Pharmacy， East China University of Science and Technology， Shanghai 200237， China; 2 School of Information Science and Engineering， East China University of Science and Technology， Shanghai 200237， China; 3 Drug Discovery and Design Ce

Abstract:

Abstract: Computational systems biology is a multi-disciplinary field which aims at simulating the interactions of complex biological systems by integrating large quantities of biological data. In this process， it is essential to develop appropriate mathematical methods and simulation tools， which is also a main task of computational systems biology. The modeling of biological networks is of great value for further understanding the intrinsic properties of biological systems. Additionally， biological models have drawn increasing attention from pharmaceutical companies and research institutions for their application in target identification， toxicity assessment and so on. This review provides a brief summary of the available biological networks and modeling methods， elucidates their applications， and points out further challenges remaining in computational systems biology.
Key words: computational systems biology; biological models; modeling methods