A review of molecular modeling approaches to pharmacophore models and structure-activity relationships of ion channel modulators in CNS.
Through pharmacophore models and providing quantitative analysis of structure-activity relationships (QSAR), molecular modeling techniques can be useful tools to study the interactions of ion channels and their modulators. The present review focuses on molecular modeling approaches that defined pharmacophore models of ion channel modulators in the CNS. The commonality and subtlety of the pharmacophore models of various ion channel modulators are discussed which can be used as a framework for the design of ion channel modulators.
Li
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Computer-Assisted Drug Design, Bristol-Myers Squibb Pharmaceutical Research Institute, 5 Research Parkway, P.O. Box 5100, Wallingford, CT 06492, USA. Yi.Li@bms.com
Harte
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D002490:Central Nervous System / Q000187:drug effects* / Q000378:metabolism; D006801:Humans; D015640:Ion Channel Gating / Q000187:drug effects / Q000502:physiology; D007473:Ion Channels / Q000737:chemistry* / Q000378:metabolism; D008024:Ligands; D008958:Models, Molecular; D013329:Structure-Activity Relationship
D007473:Ion Channels; D008024:Ligands