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

• Main Authors: Mahmoud A. A. Ibrahim (Author), Khlood A. A. Abdeljawaad (Author), Alaa H. M. Abdelrahman (Author), Peter A. Sidhom (Author), Ahmed M. Tawfeek (Author), Gamal A. H. Mekhemer (Author), Mohamed K. Abd El-Rahman (Author), Eslam Dabbish (Author), Tamer Shoeib (Author)
• Format: Book
• Published: MDPI AG, 2023-07-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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...