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Protein & Peptide Letters

Editor-in-Chief

ISSN (Print): 0929-8665
ISSN (Online): 1875-5305

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

Author(s): Qiancheng Shen, Mingyue Zheng, Jing Lu, Cheng Luo, Weiliang Zhu, Kaixian Chen, Xiaomin Luo and Hualiang Jiang

Volume 19 , Issue 9 , 2012

Page: [905 - 909] Pages: 5

DOI: 10.2174/092986612802084537

Price: $65

Abstract

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.

Keywords: Cytochromes P450, site of metabolism, web service


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