Study of an Active-State CB1 Receptor Model and JWH Compound Interactions to Predict New Emerging Synthetic Cannabinoids

Pettus, Kelsey Leigh (2016) Study of an Active-State CB1 Receptor Model and JWH Compound Interactions to Predict New Emerging Synthetic Cannabinoids. Undergraduate thesis, under the direction of Murrell Godfrey from Chemistry and Biochemistry , University of Mississippi.

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In recent years, a new class of compounds, called synthetic cannabinoids, have made their appearance in the market as a substitute for illegal marijuana or its constituent natural cannabinoids. These compounds, which are active at the same G- protein coupled receptors (GPCRS) as cannabinoids, are continuing to gain popularity because of the same cannabinoid-like effects they create. Though two cannabinoid receptors have been identified in humans, known as CB1 and CB2, synthetic cannabinoid activity at the CB1 receptor has been the focus of much research regarding synthetic cannabinoid ligand binding. In this study, the structure of the CB1 receptor is further analyzed in the binding of a class of synthetic cannabinoid ligands, known as JWH compounds, to the CB1 receptor. An active-state CB1 model that was previously created by Doerksen R. et al. and modeled from Bovine Rhodopsin and other GPCRs is used in this study. A dataset of twenty-one active CB1 agonists JWH compounds from the naphthoylindole family were docked to the model in order to further analyze key interacting residues on the CB1 receptor. Of these twenty-one compounds, all twenty-one were able to bind to the CB1 active-state model. The Glide docking score of each ligand generated from Maestro computational modeling software was collected and compared to that of Delta-9-tetrahydrocannabinol, the main psychoactive component of marijuana.

Item Type: Thesis (Undergraduate)
Creators: Pettus, Kelsey Leigh
Student's Degree Program(s): B.S. Biology
Thesis Advisor: Murrell Godfrey
Thesis Advisor's Department: Chemistry and Biochemistry
Institution: University of Mississippi
Subjects: Q Science > QD Chemistry
Depositing User: Kelsey Leigh Pettus
Date Deposited: 25 May 2016 18:15
Last Modified: 25 May 2016 18:15

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