On Thursday, March 14th, 2024, Dr. Amgad Albohy, Associate Professor of Pharmaceutical Chemistry and Drug Design, Faculty of Pharmacy, British University in Egypt (BUE), delivered a research seminar titled: “Molecular Dynamics Applications in Drug Design and Discovery.”
The seminar attracted faculty members of the pharmaceutical sciences department and Master’s in Drug Discovery and Development candidates.
Dr. Amgad earned his PhD in chemistry from the University of Alberta, Canada, and honing his expertise at renowned institutions such as the Alberta Glycomics Centre, Friedrich-Schiller University in Germany, and the Complex Carbohydrate Research Center (CCRC) at the University of Georgia, USA. With extensive teaching and research experience spanning across Germany, Canada, the USA, and Egypt, Dr. Amgad brings a wealth of knowledge to the forefront of pharmaceutical research.
His research interests lie in the realm of molecular modeling, with a particular emphasis on molecular docking and dynamics. During the seminar, Dr. Amgad elucidated the intricacies of molecular docking and dynamics, shedding light on their respective strengths and limitations. He delved into his research endeavors, showcasing the design of selective inhibitors targeting closely related isozymes.
Dr. Amgad’s presentation highlighted the development of Isatin-pyrimidine hybrid derivatives as potent inhibitors against Mycobacterium tuberculosis, specifically targeting enoyl acyl carrier protein reductase (InhA). Furthermore, he discussed the crucial role of glutamine 189 flexibility in the SARS-CoV-2 main protease, drawing insights from in silico virtual screening of the ChEMBL database and molecular dynamics simulations.
The seminar concluded with dynamic discussions exploring the diverse applications of docking and molecular dynamics in contemporary drug discovery and design.
