期刊
BIOINFORMATICS
卷 35, 期 20, 页码 4193-4195出版社
OXFORD UNIV PRESS
DOI: 10.1093/bioinformatics/btz213
关键词
-
类别
资金
- NTU SPARK program, Ministry of Science and Technology, Taiwan [most 107-2823-8-002-003-]
- Computational Molecular Design and Metabolomics Laboratory, Department of Computer Science and Information Engineering at National Taiwan University
P-glycoprotein (P-gp) is a member of ABC transporter family that actively pumps xenobiotics out of cells to protect organisms from toxic compounds. P-gp substrates can be easily pumped out of the cells to reduce their absorption; conversely P-gp inhibitors can reduce such pumping activity. Hence, it is crucial to know if a drug is a P-gp substrate or inhibitor in view of pharmacokinetics. Here we present PgpRules, an online P-gp substrate and P-gp inhibitor prediction server with ruled-sets. The two models were built using classification and regression tree algorithm. For each compound uploaded, PgpRules not only predicts whether the compound is a P-gp substrate or a P-gp inhibitor, but also provides the rules containing chemical structural features for further structural optimization.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据