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HERO ID
8098190
Reference Type
Journal Article
Title
Quantitative structure activity relationship (QSAR) analysis of olivacine derivatives as topoisomerase inhibitors
Author(s)
Sharma, M; Agarwal, A; Kishore, D; Paliwal, S
Year
2012
Is Peer Reviewed?
1
Journal
International Journal of Pharmacy and Pharmaceutical Sciences
ISSN:
2656-0097
EISSN:
0975-1491
Volume
4
Issue
SUPPL.3
Page Numbers
198-204
Language
English
Abstract
Quantitative Structure Activity Analysis was carried out on 9-o-substituted dervative of 9-hydroxy-5,6-dimethyl-6H-pyrido[4,3-b] carbazole-1- carboxylic acid (2-(dimethyl-mino)ethyl) amide and their 10- and 11- methyl analogues using TSAR in order to determine the structural features responsible for their activity. The Multiple Linear Analysis yielded a stastically significant model.The mode shown a good r2 0.821468 and r2CV 0.762943.The result obtained from the present study indicates that electronic and steric descriptors play major role in topoisomerase II inhibitory activity. In case of electronic descriptors, with an increase in Dipole Moment Descriptor value and Bond Dipole Moment value, there is an increase in biological activity and with an increase in Polarization Descriptor value, biological activity decreases and biological activity increases with an increase in Verloop B1-B5 parameters which are steric descriptors.
Keywords
Cross validated squared correlation coefficient; Highly occupied molecular orbital; Negative logarithim; Quantitative structure activity relationship; Tool for structure activity relationship
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