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Modeling of the Interaction of Flavanoids with GABA (A) Receptor Using PRECLAV (Property-Evaluation by Class Variables)

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DOI: 10.4236/pp.2011.24035    4,984 Downloads   9,313 Views   Citations

ABSTRACT

Quantitative Structure-Activity Relationship (2D-QSAR) models for binding affinity constants (log Ki) of 78 flavanoid ligands towards the benzodiazepine site of GABA (A) receptor complex were estimated using the PRECLAV (Property-Evaluation by Class Variables) program. The best MLR equation with nine PRECLAV descriptors has R2 = 0.843 and R2C = 0.782. Attempt is also made for obtaining 2D-QSAR model using NCSS software. The comparison of the results indicated that the PRECLAV method is very efficient in detecting structure-activity correlation with good predictive power.

Conflicts of Interest

The authors declare no conflicts of interest.

Cite this paper

V. Agrawal, B. Shaik, P. Khadikar and S. Singh, "Modeling of the Interaction of Flavanoids with GABA (A) Receptor Using PRECLAV (Property-Evaluation by Class Variables)," Pharmacology & Pharmacy, Vol. 2 No. 4, 2011, pp. 271-281. doi: 10.4236/pp.2011.24035.

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