Letters in Drug Design & Discovery

G. Perry
University of Texas
San Antonio, TX
USA
Email: lddd@benthamscience.org

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Quantitative Structure Activity Relationship of Indole-Carbaldehyde Derivatives as Cannabinoid Receptor 2 Agonists

Author(s): S. Rituparna, S. K. Mahmood, M. Ravikumar.

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)

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Article Details

VOLUME: 6
ISSUE: 8
Year: 2009
Page: [599 - 619]
Pages: 21
DOI: 10.2174/157018009789353473
Price: $58