A Review of Molecular Modeling Approaches to Pharmacophore Models and Structure-Activity Relationships of Ion Channel Modulators in CNS

Authors: Li, Y.; Harte, W.E.

Source: Current Pharmaceutical Design, Volume 8, Number 2, 1 January 2002 , pp. 99-110(12)

Publisher: Bentham Science Publishers

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Abstract:

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.

Keywords: Ion Channel Modulators in CNS; Pharmacophore and QSAR Modeling; NAChR; 5-HT3

Document Type: Review article

DOI: http://dx.doi.org/10.2174/1381612023396546

Publication date: 2002-01-01

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Current Pharmaceutical Design publishes timely in-depth reviews covering all aspects of current research in rational drug design. Each issue is devoted to a single major therapeutic area. A Guest Editor who is an acknowledged authority in a therapeutic field has solicits for each issue comprehensive and timely reviews from leading researchers in the pharmaceutical industry and academia.

Each thematic issue of Current Pharmaceutical Design covers all subject areas of major importance to modern drug design, including: medicinal chemistry, pharmacology, drug targets and disease mechanism.