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

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

Volume: 19 Issue: 9

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

Affiliation:

Keywords: Cytochromes P450, site of metabolism, web service

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.

Cite this article as:

Shen Qiancheng, Zheng Mingyue, Lu Jing, Luo Cheng, Zhu Weiliang, Chen Kaixian, Luo Xiaomin and Jiang Hualiang, SOMEViz: A Web Service for Site of Metabolism Estimating and Visualizing, Protein & Peptide Letters 2012; 19 (9) . https://dx.doi.org/10.2174/092986612802084537