Molecular docking study of triterpene glycosides and the mouse p-glycoprotein (MDR1/ABCB1) using autodock vina software / Nurliyana Ramli

The phenomenon of multidrug resistance (MDR) is associated with the over expression of P-glycoprotein (P-gp) at the target cell. P-gp responsible to efflux drugs out of the cell and reduce the accumulation of drugs thus decrease the therapeutic effect of these chemotherapy drugs. Triterpene glycosides can be found mostly in sea cucumber and are shown to give cytotoxic activity against tumor and cancer cell. In this computational study, Autodock Vina was employed to study potential interactions between P­ glycoprotein and triterpene glycosides. Two triterpene glycosides derivatives, Intercedenside A and Intercedenside B are found to form hydrogen bond with Tyr 303 of P-gp.