Unlocking Relief Without the Alarm: A Tale of Two Doors
The cannabinoid receptors are G protein-coupled receptors (GPCRs) and major endocannabinoid system components that regulate several physiological processes and pathological conditions, including pain, neuroinflammation, cognitive functions, and immune disorders. Unlike its cannabinoid receptor 1 (CB1R) counterpart, whose activation in the central nervous system is associated with psychoactive effects, the cannabinoid receptor 2 (CB2R) is primarily localized in the immune cells, and its activation by potent ligands is associated with little or no psychoactivity. With these two receptors being highly structurally similar, it becomes challenging to selectively target CB2R while avoiding the CB1R-associated psychoactivity.
By utilizing computational tools and techniques to study the minor structural differences between these receptors, my research aims to design effective drugs that are selective for CB2R or the peripheral CB1R devoid of unwanted central side effects. Through computational modeling and simulations, I am studying the behavior of dual-acting ligands in the cannabinoid receptors, highlighting the specific receptor-ligand interactions and conformational changes in the presence of these ligands, the understanding of which will eventually facilitate the design of clinically relevant and safe ligands targeting the cannabinoid receptors.
Elizabeth Damilola Oke is a Ph.D. candidate in the Pharmaceutical Sciences and Molecular Medicine program, specializing in computational drug discovery and design. Her work investigates membrane proteins, particularly G protein-coupled receptors (GPCRs), their interactions with small molecules, and how these receptors can be effectively targeted for drug discovery. Before joining WSU, Elizabeth obtained a bachelor’s degree in pharmacy from the University of Ibadan, Nigeria, and has years of experience in clinical pharmacy practice. Through her work, Elizabeth seeks to bridge the gap between theoretical predictions and experimental observations. She is committed to significantly contributing to the innovative efforts in computer-aided drug design, promoting the discovery and development of newer and more effective therapies that improve human health.