On the occasion of Dr. Dinh Chau Phi's visit to Vietnam, the Faculty of Pharmacy at Ton Duc Thang University organized a seminar entitled "Molecular Modeling in Drug Development," delivered by Dr. Phi from OmegaChem Inc., Lévis, Quebec, Canada.

Seminar Content

Drug discovery and development is a lengthy and complex process involving scientists from various disciplines. The identification and optimization of bioactive compounds represent critical early stages of this process. During these stages, numerous compounds are synthesized and biologically evaluated to optimize their chemical structures and biological activities before advancing to subsequent development phases.

Advances in molecular modeling have enabled researchers to reduce the number of compounds requiring synthesis and gain deeper insights into ligand–target interactions, thereby facilitating the structural optimization process.

This seminar will introduce the fundamental principles of two widely used molecular modeling techniques: structure-based molecular docking and ligand-based pharmacophore screening.

Several case studies from published research will be presented to illustrate the principles and practical applications of molecular modeling, including:

• Development of microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors using pharmacophore modeling.

• Development of 5-lipoxygenase (5-LOX) inhibitors derived from vitamin E.

• Discovery and development of immunosuppressive compounds from Garcinia bancana.

• Development of activators of insulin-degrading enzyme (IDE).

Time and Venue

Time: 9:30 AM, Friday, December 9, 2022.

Venue: Room F407, Building F, Ton Duc Thang University.