SOMEViz: A Web Service for Site of Metabolism Estimating and Visualizing
文献类型：期刊论文
| 作者 | Shen, Qiancheng; Zheng, Mingyue ; Lu, Jing; Luo, Cheng; Zhu, Weiliang; Chen, Kaixian; Luo, Xiaomin; Jiang, Hualiang
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| 刊名 | PROTEIN AND PEPTIDE LETTERS
 |
| 出版日期 | 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. |
| WOS关键词 | AMINO-ACID-COMPOSITION ; PHARMACOLOGICALLY ACTIVE METABOLITES ; DRUG DISCOVERY ; SUBCELLULAR-LOCALIZATION ; PREDICTION ; TERFENADINE ; PROTEINS |
| 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研究方向 | Biochemistry & Molecular Biology |
| 语种 | 英语 |
| WOS记录号 | WOS:000307943500001 |
| 出版者 | BENTHAM SCIENCE PUBL LTD |
| 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. |
入库方式： OAI收割
来源：上海药物研究所
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