Molecular-Field-Based Three-Dimensional Similarity Studies on Quinoline-Based CNS Active Agents
Author
Source
Issue
Vol. 2011, Issue 2011 (31 Dec. 2011), pp.1-5, 5 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2011-09-07
Country of Publication
Egypt
No. of Pages
5
Main Subjects
Pharmacy, Health & Medical Sciences
Pharmacology
Abstract EN
A series of quinoline-based agents with CNS activity have been analyzed for their three-dimensional similarity with respect to a set of standard atypical antipsychotics.
The method aligns the molecules based on their molecular fields represented as local extrema of electrostatic, van der Waals, and hydrophobic potentials of the molecule termed “field points.” The compounds in the series were found to demonstrate relatively lesser 3D similarity to the dibenzodiazepine derivative clozapine.
Similarity values were higher with respect to extended chain compounds ketanserin, ziprasidone, and risperidone.
The results obtained were found to agree with the physicochemical similarity of the compounds reported earlier.
American Psychological Association (APA)
Bali, Alka. 2011. Molecular-Field-Based Three-Dimensional Similarity Studies on Quinoline-Based CNS Active Agents. ISRN Pharmaceutics،Vol. 2011, no. 2011, pp.1-5.
https://search.emarefa.net/detail/BIM-452929
Modern Language Association (MLA)
Bali, Alka. Molecular-Field-Based Three-Dimensional Similarity Studies on Quinoline-Based CNS Active Agents. ISRN Pharmaceutics No. 2011 (2011), pp.1-5.
https://search.emarefa.net/detail/BIM-452929
American Medical Association (AMA)
Bali, Alka. Molecular-Field-Based Three-Dimensional Similarity Studies on Quinoline-Based CNS Active Agents. ISRN Pharmaceutics. 2011. Vol. 2011, no. 2011, pp.1-5.
https://search.emarefa.net/detail/BIM-452929
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-452929