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Article

Computationally accelerated identification of P-glycoprotein inhibitors

13 Aug 2025

Abstract excerpt

Overexpression of the polyspecific efflux transporter, P-glycoprotein (P-gp, MDR1, ABCB1), is a major mechanism by which cancer cells acquire multidrug resistance (MDR), the resistance to diverse chemotherapeutic drugs. Inhibiting drug transport by P-gp can resensitize cancer cells to chemotherapy, but there are no P-gp inhibitors available to patients. Clinically unsuccessful P-gp inhibitors tend to bind at the...

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PMID: 40802735
DOI: 10.1371/journal.pone.0325121

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