Abstract
QSAR has been established for 73 Indole-carbaldehyde derivatives acting as Cannabinoid receptor 2 agonists. The best model was developed using six descriptors from topological, thermodynamic, spatial and electrotopological class. The model had r2 value of 0.888, PRESS value of 7.825, XV r2 value of 0.841 and test set correlation value 0.881.
Keywords: Cannabinoid receptor 2, GPCR, QSAR, Indole-carbaldehyde derivatives, Agonists, Correlation coefficient (r2)
Letters in Drug Design & Discovery
Title: Quantitative Structure Activity Relationship of Indole-Carbaldehyde Derivatives as Cannabinoid Receptor 2 Agonists
Volume: 6 Issue: 8
Author(s): S. Rituparna, S. K. Mahmood and M. Ravikumar
Affiliation:
Keywords: Cannabinoid receptor 2, GPCR, QSAR, Indole-carbaldehyde derivatives, Agonists, Correlation coefficient (r2)
Abstract: QSAR has been established for 73 Indole-carbaldehyde derivatives acting as Cannabinoid receptor 2 agonists. The best model was developed using six descriptors from topological, thermodynamic, spatial and electrotopological class. The model had r2 value of 0.888, PRESS value of 7.825, XV r2 value of 0.841 and test set correlation value 0.881.
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Cite this article as:
Rituparna S., Mahmood K. S. and Ravikumar M., Quantitative Structure Activity Relationship of Indole-Carbaldehyde Derivatives as Cannabinoid Receptor 2 Agonists, Letters in Drug Design & Discovery 2009; 6 (8) . https://dx.doi.org/10.2174/157018009789353473
DOI https://dx.doi.org/10.2174/157018009789353473 |
Print ISSN 1570-1808 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-628X |
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