SOMEViz: A Web Service for Site of Metabolism Estimating and Visualizing

doi:10.2174/092986612802084537

CORC > 上海药物研究所 > 中国科学院上海药物研究所 > 药物发现与设计中心

	SOMEViz: A Web Service for Site of Metabolism Estimating and Visualizing
	Shen, Qiancheng; Zheng, Mingyue; Lu, Jing; Luo, Cheng; Zhu, Weiliang; Chen, Kaixian; Luo, Xiaomin; Jiang, Hualiang
刊名	PROTEIN AND PEPTIDE LETTERS
	2012-09
卷号	19 期号:9 页码:905-909
关键词	Cytochromes P450 site of metabolism web service
ISSN号	0929-8665
DOI	10.2174/092986612802084537
文献子类	Article
英文摘要	Phase I metabolism is an important consideration in drug discovery because it profoundly affects the toxicity and activity profile of a drug candidate. In these metabolic processes, CYP450 family is responsible for the majority of biotransformation events. However, it is still an important challenge to predict sites of metabolism (SOM) of a new chemical entity due to the complex reaction mechanism and variety in CYP450 enzymes. SOMEViz is an online service designed for predicting and visualizing human cytochromes P450 (CYP450)-mediated sites of metabolism (SOM) of a molecule, on the basis of a previously reported model [1]. The service provides an access for predicting sites of metabolism of molecules with reasonable accuracy, and predicted results are shown in a user-friendly as well as interactive way, which may help chemists explore metabolism properties of chemicals in the early stage of drug discovery. The web-based GUI of SOMEViz offers user a straightforward way to manage and visualize the sites of metabolism (SOM) prediction results. The service and examples are available free of charge at http://www.dddc.ac.cn/some.
资助项目	State Key Laboratory of Drug Research[00000000] ; State Key Program of Basic Research of China[2009CB918502] ; National Natural Science Foundation of China[81001399] ; National Natural Science Foundation of China[21021063] ; Hi-Tech Research and Development Program of China[SS2012AA021103]
WOS关键词	AMINO-ACID-COMPOSITION ; PHARMACOLOGICALLY ACTIVE METABOLITES ; DRUG DISCOVERY ; SUBCELLULAR-LOCALIZATION ; PREDICTION ; TERFENADINE ; PROTEINS
WOS研究方向	Biochemistry & Molecular Biology
语种	英语
出版者	BENTHAM SCIENCE PUBL LTD
WOS记录号	WOS:000307943500001
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/277974]
专题	药物发现与设计中心中科院受体结构与功能重点实验室新药研究国家重点实验室
通讯作者	Zheng, Mingyue
作者单位	Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China
推荐引用方式 GB/T 7714	Shen, Qiancheng,Zheng, Mingyue,Lu, Jing,et al. SOMEViz: A Web Service for Site of Metabolism Estimating and Visualizing[J]. PROTEIN AND PEPTIDE LETTERS,2012,19(9):905-909.
APA	Shen, Qiancheng.,Zheng, Mingyue.,Lu, Jing.,Luo, Cheng.,Zhu, Weiliang.,...&Jiang, Hualiang.(2012).SOMEViz: A Web Service for Site of Metabolism Estimating and Visualizing.PROTEIN AND PEPTIDE LETTERS,19(9),905-909.
MLA	Shen, Qiancheng,et al."SOMEViz: A Web Service for Site of Metabolism Estimating and Visualizing".PROTEIN AND PEPTIDE LETTERS 19.9(2012):905-909.