Date of Award

Fall 12-2013

Degree Type


Degree Name


Degree Program




Major Professor

Professor Edwin D. Stevens

Second Advisor

Professor Mark Trudell

Third Advisor

Professor Steven Rick

Fourth Advisor

Professor Bruce Gibb



Charge density studies have been conducted on ten CB1 cannabinoid receptor antagonists via high resolution x-ray crystallography. Bond critical point values and various other properties derived from these studies including the electrostatic potential were analyzed in correlation to the affinity of each compound with the CB1 receptor. Correlation/anti-correlation was found between several properties and Ki. The data was also interpreted by principal component analysis with three principal components accounting for 85% of the data variation. Data mining was limit due to the low sample count and the requirements set for the inclusion of correlated/anti-correlated variables left fewer variables to analyze. The model presented is left for future interpretation.


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