In-Silico Mining of the Toxins Database (T3DB) towards Hunting Prospective Candidates as ABCB1 Inhibitors: Integrated Molecular Docking and Lipid Bilayer-Enhanced Molecular Dynamics Study

In-Silico Mining of the Toxins Database (T3DB) towards Hunting Prospective Candidates as ABCB1 Inhibitors: Integrated Molecular Docking and Lipid Bilayer-Enhanced Molecular Dynamics Study

Multidrug resistance (MDR) is one of the most problematic issues in chemotherapeutic carcinoma therapy. The ABCB1 transporter, a drug efflux pump overexpressed in cancer cells, has been thoroughly investigated for its association with MDR. Thus, discovering ABCB1 inhibitors can reverse the MDR in ca...

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Bibliographic Details
Main Authors: Mahmoud A. A. Ibrahim, Khlood A. A. Abdeljawaad, Alaa H. M. Abdelrahman, Peter A. Sidhom, Ahmed M. Tawfeek, Gamal A. H. Mekhemer, Mohamed K. Abd El-Rahman, Eslam Dabbish, Tamer Shoeib
Format: Article
Language:English
Published: MDPI AG 2023-07-01
Series:Pharmaceuticals
Subjects:
MDR
ABCB1 transporter
Toxin and Toxin-Target Database (T3DB)
docking computations
MD simulations
Online Access:https://www.mdpi.com/1424-8247/16/7/1019

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https://www.mdpi.com/1424-8247/16/7/1019

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