Detecting drug targets with minimum side effects in metabolic networks

doi:10.1049/iet-syb.2008.0166

CORC > 数学与系统科学研究院 > 中国科学院数学与系统科学研究院 > 应用数学研究所

	Detecting drug targets with minimum side effects in metabolic networks
	Li, Z.1; Wang, R. -S.2; Zhang, X. -S.3 ; Chen, L.4
刊名	IET SYSTEMS BIOLOGY
	2009-11-01
卷号	3 期号:6 页码:523-533
ISSN号	1751-8849
DOI	10.1049/iet-syb.2008.0166
英文摘要	High-throughput techniques produce massive data on a genome-wide scale which facilitate pharmaceutical research. Drug target discovery is a crucial step in the drug discovery process and also plays a vital role in therapeutics. In this study, the problem of detecting drug targets was addressed, which finds a set of enzymes whose inhibition stops the production of a given set of target compounds and meanwhile minimally eliminates non-target compounds in the context of metabolic networks. The model aims to make the side effects of drugs as small as possible and thus has practical significance of potential pharmaceutical applications. Specifically, by exploiting special features of metabolic systems, a novel approach was proposed to exactly formulate this drug target detection problem as an integer linear programming model, which ensures that optimal solutions can be found efficiently without any heuristic manipulations. To verify the effectiveness of our approach, computational experiments on both Escherichia coli and Homo sapiens metabolic pathways were conducted. The results show that our approach can identify the optimal drug targets in an exact and efficient manner. In particular, it can be applied to large-scale networks including the whole metabolic networks from most organisms.
WOS研究方向	Cell Biology ; Mathematical & Computational Biology
语种	英语
出版者	INST ENGINEERING TECHNOLOGY-IET
WOS记录号	WOS:000272502400010
内容类型	期刊论文
源URL	[http://ir.amss.ac.cn/handle/2S8OKBNM/8590]
专题	应用数学研究所
通讯作者	Li, Z.
作者单位	1.Beijing Wuzi Univ, Sch Informat, Beijing 101149, Peoples R China 2.Renmin Univ China, Sch Informat, Beijing 100872, Peoples R China 3.CAS, Acad Math & Syst Sci, Beijing 100080, Peoples R China 4.Osaka Sangyo Univ, Dept Elect Engn & Elect, Osaka 5748530, Japan
推荐引用方式 GB/T 7714	Li, Z.,Wang, R. -S.,Zhang, X. -S.,et al. Detecting drug targets with minimum side effects in metabolic networks[J]. IET SYSTEMS BIOLOGY,2009,3(6):523-533.
APA	Li, Z.,Wang, R. -S.,Zhang, X. -S.,&Chen, L..(2009).Detecting drug targets with minimum side effects in metabolic networks.IET SYSTEMS BIOLOGY,3(6),523-533.
MLA	Li, Z.,et al."Detecting drug targets with minimum side effects in metabolic networks".IET SYSTEMS BIOLOGY 3.6(2009):523-533.