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A Pharmacophore Modeling Study of Drugs Inducing Cardiotoxic Side Effects
Author(s) -
WANG XiaoJian,
YANG Qian,
YIN DaLi,
CHEN YaDong,
YOU QiDong
Publication year - 2008
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.200890380
Subject(s) - herg , pharmacophore , chemistry , pharmacology , potassium channel , drug , mechanism (biology) , potassium channel blocker , blockade , potassium , stereochemistry , medicine , biochemistry , philosophy , receptor , epistemology , organic chemistry
In this paper a three‐dimensional cardiotoxic model was developed from hERG blockers. The best hypothesis (Hypol) was defined by four features. The carditotoxic model would be very helpful in understanding the blockade mechanism of hERG potassium channel and in providing insights into avoiding unnecessary cardiotoxic effect in drug development.