Structure affinity relationship and docking studies of flavonoids as substrates of multidrug-resistant associated protein 2 (MRP2) in MDCK/MRP2 cells

•MRP2 was stably expressed in MDCK/MRP2 cells.•8 of 35 flavonoids were identified as substrates of MRP2 in MDCK/MRP2 cells.•SAR and docking were done for structure requirements of flavonoid substrates.•3,5,6,3′-OH, 4′-OCH3 favoured but 8,3′-OCH3, 2′,4′,5′-OH disfavoured for MRP2 affinity. This study...

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