Nucleotide asymmetry and flexible linker dynamics modulate drug efflux cycle of P-glycoprotein, A computational study

Despite advancements in oncology, multidrug resistance (MDR) mediated by P-glycoprotein (P-gp/ABCB1) remains a major barrier to chemotherapy. P-gp is an ATP-binding cassette transporter that undergoes nucleotide-driven structural rearrangements to efflux chemotherapeutics, but the mechanistic detail...

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Autori principali:	Sungho B. Han, Jim Warwicker, Hao Fan, Stephen M. Prince
Natura:	Artigo
Lingua:	Inglês
Pubblicazione:	Elsevier 2025-01-01
Serie:	Computational and Structural Biotechnology Journal
Soggetti:	P-glycoprotein Molecular dynamics Protein dynamics Ligand tunnels Protein-nucleotide interactions
Accesso online:	http://www.sciencedirect.com/science/article/pii/S2001037025004660
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