XenoSite server: a web-available site of metabolism prediction tool.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 25411327.
- Also identified by DOI 10.1093/bioinformatics/btu761.
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Abstract
Cytochrome P450 enzymes (P450s) are metabolic enzymes that process the majority of FDA-approved, small-molecule drugs. Understanding how these enzymes modify molecule structure is key to the development of safe, effective drugs. XenoSite server is an online implementation of the XenoSite, a recently published computational model for P450 metabolism. XenoSite predicts which atomic sites of a molecule--sites of metabolism (SOMs)--are modified by P450s. XenoSite server accepts input in common chemical file formats including SDF and SMILES and provides tools for visualizing the likelihood that each atomic site is a site of metabolism for a variety of important P450s, as well as a flat file download of SOM predictions. XenoSite server is available at http://swami.wustl.edu/xenosite.
Medical subject headings
- Computational Biology
- Cytochrome P-450 Enzyme System
- Dibenzothiepins
- Internet
- Metabolic Networks and Pathways
- Xenobiotics