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.
