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Internet Electronic Journal of Molecular Design
Motivation. To determine the structural features of flavones required for the reversal of P-glycoprotein (P-gp) mediated multidrug resistance, we studied the quantitative structure-activity relationships (QSAR) of a series of flavones specifically binding to the C-terminal nucleotide-binding domain of mouse P-gp. Method. Pharmacophore modeling using DISCOtech and comparative molecular field analysis (CoMFA) methods were applied to the dataset to identify the pharmacophoric features as well asfatcat:e5rto5yvofdlbizcjancvzobie