Do Drugs Have Access to the P‑Glycoprotein Drug-Binding Pocket through Gates?

The P-glycoprotein efflux mechanism is being studied since its identification as a leading protagonist in multidrug resistance. Recently, it was suggested that drugs enter the drug-binding pocket (DBP) through gates located between the transmembrane domains. For both a substrate and a modulator, the...

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Veröffentlicht in:	Journal of chemical theory and computation 2015-10, Vol.11 (10), p.4525-4529
Hauptverfasser:	Ferreira, Ricardo J, Ferreira, Maria-José U, dos Santos, Daniel J. V. A
Format:	Artikel
Sprache:	eng
Schlagworte:	ATP-Binding Cassette, Sub-Family B, Member 1 - antagonists & inhibitors ATP-Binding Cassette, Sub-Family B, Member 1 - chemistry Binding Sites - drug effects Colchicine - chemistry Colchicine - pharmacology Computation Drugs Efflux Gates Humans Mathematical models Modulators Molecular Dynamics Simulation Molecular Structure Pocket Quinolines - chemistry Quinolines - pharmacology Thermodynamics Transit
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