Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study

Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study

The P-glycoprotein (P-gp/ABCB1) is responsible for a xenobiotic efflux pump that shackles intracellular drug accumulation. Additionally, it is included in the dud of considerable antiviral and anticancer chemotherapies because of the multidrug resistance (MDR) phenomenon. In the search for prospecti...

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Bibliographic Details
Main Authors: Mahmoud A. A. Ibrahim, Khlood A. A. Abdeljawaad, Alaa H. M. Abdelrahman, Laila A. Jaragh-Alhadad, Hesham Farouk Oraby, Eslam B. Elkaeed, Gamal A. H. Mekhemer, Gamal A. Gabr, Ahmed M. Shawky, Peter A. Sidhom, Mahmoud E. S. Soliman, Mahmoud F. Moustafa, Paul W. Paré, Mohamed-Elamir F. Hegazy
Format: Article
Language:English
Published: MDPI AG 2022-05-01
Series:Molecules
Subjects:
ABCB1
multidrug resistance (MDR)
NPASS
molecular docking
molecular dynamics (MD) simulations
Online Access:https://www.mdpi.com/1420-3049/27/10/3104

Internet

https://www.mdpi.com/1420-3049/27/10/3104

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