References
- Andersen ØM, Markham KR, eds. Flavonoids: chemistry, biochemistry and applications. Boca Raton: CRC Press; 2005
- Grotewold E, ed. The science of flavonoids. New York: Springer; 2006
- Youdim KA, Shukitt-Hale B, Joseph JA. Flavonoids and the brain: interactions at the blood--brain barrier and their physiological effects on the central nervous system. Free Radic Biol Med 2004;37:1683–93
- Heim KE, Tagliaferro AR, Bobilya DJ. Flavonoid antioxidants: chemistry, metabolism and structure--activity relationships. J Nutr Biochem 2002;13:572–84
- Le Marchand L. Cancer preventive effects of flavonoids: a review. Biomed Pharmacother 2002;56:296–301
- Woodman OL, Chan EC. Vascular and anti-oxidant actions of flavonols and flavones. Clin Exp Pharmacol Physiol 2004;31:786–90
- Marder M, Viola H, Bacigaluppo JA, et al. Detection of benzodiazepine receptor ligands in small libraries of flavone derivatives synthesized by solution phase combinatorial chemistry. Biochem Biophys Res Commun 1998;249:481–5
- Dekermendjian K, Kahnberg P, Witt MR, et al. The use of a pharma-cophore model for identification of novel ligands for the benzodiazepine binding site of the GABAA receptor. J Med Chem 1999;42:4343–50
- Hong X, Hopffinger AJ. 3D-pharmacophores of flavonoid binding at the benzodiazepine GABAA receptor site using 4D-QSAR analysis. J Chem Inform Model 2003;43:324–6
- Huang X, Liu T, Gu J, et al. 3D-QSAR model of flavonoids binding at benzodiazepine site in GABAA receptors. J Med Chem 2001;44:1883–91
- Kahnberg P, Lager E, Rosenberg C, et al. Refinement and evaluation of a pharmacophore model for flavone derivatives binding to the benzodiazepine site of the GABAA receptor. J Med Chem 2002;45:4188–201
- Da Settimo A, Primofiore G, Da Settimo F, et al. Synthesis, structure--activity relationships, and molecular modeling studies of n-(indol-3-ylglyoxy-lyl)benzylamine derivatives acting at the benzodiazepine receptor. J Med Chem 1996;39:5083–91
- Duchowicz PR, MaVitale G, Castro EA, et al. QSAR modeling of the interaction of flavonoids with GABA (A) receptor. Eur J Med Chem 2008;43:1593–602
- Agrawal VK, Basheerulla SK, Khadikar PV, Singh S. Modeling of the interaction of flavanoids with GABA (A) receptor using PRECLAV (Property-Evaluation by Class Variables). Pharmacol Pharmacy 2011;2:271–81
- Deeb O, Clare BW. QSAR of aromatic substances: protein tyrosine kinase inhibitory activity of flavonoid analogues. Chem Biol Drug Des 2007;70:437–49
- Hemmateenejad B, Mehdipour A, Deeb O, et al. Toward an optimal approach for variable selection in counter-propagation neural networks: modeling protein-tyrosine kinase inhibitory of flavanoids using substituent electronic descriptor. Mol Inf 2011;30:939–49
- HyperChem Release 7.5, HyperCube, Inc. Available from: http://www.hyper.com
- Dewar MJS, Zeoblish EG, Healy EF, Stewart JJ. Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model. J Am Chem Soc 1985;107:3902–9
- Tropsha A, Gramatica P, Gombar VJK. The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSPR models. QSAR Comb Sci 2003;22:69–77
- Gramatica P. Principles of QSAR models validation: internal and external. QSAR Comb Sci 2007;26:694–701
- StatSoft, Inc. STATISTICA (data analysis software system), version 10; 2011. Available from: www.statsoft.com
- Deeb O, Hemmateenejad B. ANN-QSAR model of drug-binding to human serum albumin. Cheml Biol Drug Design 2007;70:19–29
- Hemmateenejad B, Safarpour MA, Miri R, Ne-Sari N. Toward an optimal procedure for PC-ANN model building: prediction of the carcinogenic activity of a large set of drugs. J Chem Informd Model 2005;45:190–9
- Deeb O, Goodarzi M. Exploring QSARs for inhibitory activity of non-peptide HIV-1 protease inhibitors by GA-PLS and GA-SVM. Chem Biol Drug Des 2010;75:506–14
- Roy K, Chakraborty P, Mitra I, et al. Some case studies on application of ‘‘rm 2’’ metrics for judging quality of quantitative structure–activity relationship predictions: emphasis on scaling of response data. J Comput Chem 2013;34:1071–82
- Golbraikh A, Tropsha A. Beware of q2!. J Mol Graph Model 2002;20:269–76