31st Annual Student Research Conference
A Computational Investigation of Cannabinoid Receptor CB1
Branden W. Lawson
Dr. Bill R. Miller, Faculty Mentor
Cannabinoid receptor CB1, a cell membrane receptor, is typically the target of Δ9-tetrahydrocannabinol (Δ9-THC) the psychoactive drug found in cannabis. This receptor controls a multitude of physiological processes like pain-sensation, which makes the study of CB1 important for understanding the medical treatment of pain relief. Three known crystal structures of CB1 with bound drug agonists are known and available for study by computational methods. Using Δ9-THC as a control for other established cancer drugs from the National Cancer Institute Library, we will use molecular docking to screen these molecules for potential medical applications. We will further study these molecules using molecular dynamic simulations to determine the stability of the drugs in the binding site of the receptor. These computational methods could provide insight into designing more effective pain-relieving drugs that mimic the effective binding of THC without the psychoactive effects.
Keywords: Cannabinoid , Receptor, THC, Chemistry, Computational Chemistry, Biochemistry, Protein
Topic(s):Chemistry
Biology
Presentation Type: Oral Paper
Session: 103-1
Location: MG 1096
Time: 8:00