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Computational Insights into Allosteric Conformational Modulation of P-Glycoprotein by Substrate and Inhibitor Binding

The ATP-binding cassette (ABC) transporter P-glycoprotein (P-gp) is a physiologically essential membrane protein that protects many tissues against xenobiotic molecules, but limits the access of chemotherapeutics into tumor cells, thus contributing to multidrug resistance. The atomic-level mechanism...

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Principais autores: Juan Xing, Shuheng Huang, Yu Heng, Hu Mei, Xianchao Pan
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2020-12-01
Serier:Molecules
Fag:
P-glycoprotein
ABC transporter
conformational changes
molecular dynamics
Online adgang:https://www.mdpi.com/1420-3049/25/24/6006
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