Computational Modelling of Cannabidiol Fluorination
Cannabidiol, is a non-intoxicating cannabinoid has anecdotal and preliminary evidence as a treatment for pain, anxiety, nausea and seizures. This project aims to identify the configuration of CBD when bound in the brain. We will use established computational techniques that have not been applied to CBD binding to calculate the pose that CBD adopts when bound to the type 1 cannabinoid receptor (CB1). Using the identified configuration, we will design modifications to CBD that will increase the potency of CBD and duration of benefit, without introducing side effects. We will then use computational methods to investigate the effect of the CBD modifications to CB1 receptor binding. Iteration of the design and testing steps will continue until we identify CBD modifications that result in improved CBD binding to the CB1 receptor. Developing an improved CBD derivative into a new treatment will raise the profile of CBDV.