Honors Theses
Date of Award
2016
Document Type
Undergraduate Thesis
Department
Chemistry and Biochemistry
First Advisor
Murrell Godfrey
Relational Format
Dissertation/Thesis
Abstract
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.
Recommended Citation
Pettus, Kelsey Leigh, "Study of an Active-State CB1 Receptor Model and JWH Compound Interactions to Predict New Emerging Synthetic Cannabinoids" (2016). Honors Theses. 539.
https://egrove.olemiss.edu/hon_thesis/539
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