On Wednesday, February 26th, 2020, Dr. Ahmed Thabet Negmeldin, Assistant Professor of medicinal Chemistry, Department of Pharmaceutical Sciences, College of Pharmacy, GMU gave a professional oral presentation and professional poster presentation at Dubai International Pharmaceuticals & Technologies Conference & Exhibition (DUPHAT 2020) with a title “Computational Simulation and Molecular Docking: Applications in Drug Targeting and in Assessment of Isoform Selectivity of Histone Deacetylase Inhibitors”.
The presentation focused on the use of computational simulations as one of the Artificial Intelligence techniques in the field of drug design and drug development. Dr. Ahmed mentioned in his talk how he used molecular docking in the design a targeting conjugate to target liver cells with nanoparticles loaded with the antiviral drug Sofosbuvir. This work was done in collaboration with Dr. Ibrahim Elsayed, Associate dean academic, College of Pharmacy, Gulf Medical University. Another part of the talk showed how molecular docking was utilized to account for the observed selectivity and explain the source of the interesting selective inhibition observed with several histone deacetylase enzymes developed with anti-cancer properties. DUPHAT is a unique event that brings together faculty members from different college of pharmacy, pharmacists, researchers and students in the field of pharmacy and pharmaceutical sciences to enrich knowledge and enhance fruitful interactions and collaborations.
