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3D-QSAR model of flavonoids binding at benzodiazepine site in GABAA receptors.
TLDR
With flavone as a structural template, three-dimensional quantitative structure-activity relationship (3D-QSAR) studies and ab initio calculations were performed on a series of flavonoids to build a reasonable pharmacophore model and propose specific S1 and S2 subsites relating to substituent positions.