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

Authors

Mahmoud A. A. Ibrahim, Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt,School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban 4000, South Africa
Khlood A. A. Abdeljawaad, Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt
Alaa H. M. Abdelrahman, Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt
Peter A. Sidhom, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta 31527, Egypt

Document Type

Research Article

Publication Title

Pharmaceuticals

Publication Date

7-18-2023

doi

10.3390/ph16071019

Recommended Citation

APA Citation

Ibrahim, M. Abdeljawaad, K. Abdelrahman, A. & Sidhom, P. (2023). 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. Pharmaceuticals, 16, https://doi.org/10.3390/ph16071019

MLA Citation

Ibrahim, Mahmoud A. A., et al. "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." Pharmaceuticals, vol. 16, 2023
https://doi.org/10.3390/ph16071019