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A. Da Settimo, G. Primofiore, F. Da Settimo, A.M. Marini, E. Novellino, G. Greco, C. Martini, G. Giannaccini, A. Lucacchini, “Synthesis, Structure?Activity Relationships, and Molecular Modeling Studies of N-(Indol-3- ylglyoxylyl)benzylamine Derivatives Acting at the Benzodiazepine Receptor,,” Journal of Medicinal Chemistry, Vol. 39, 1996, pp. 5083-5091.

has been cited by the following article:

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

  AUTHORS: Vijay K. Agrawal, Basheerulla Shaik, Padmakar V. Khadikar, Shalini Singh

  KEYWORDS: PRECLAV, NCSS, Regression Analysis, Cross-Validation, GABA, Flavanoids

  JOURNAL NAME: Pharmacology & Pharmacy, Vol.2 No.4, October 18, 2011

  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.