Cannabis has been shown to exhibit some therapeutic properties in traditional
medicine. However, the molecular insights of its active compound cannabidiol (CBD) remain
to be further elucidated. In this study we used bioinformatics approaches to discover potential
human protein targets of CBD, how CBD interacts with its putative targets, and its potential
pharmaceutical effects. By using a homology approach, we identified 139 human proteins that
are homologous to CB1 receptor—the main protein target of CBD. Docking simulations were
performed and confirmed on 26 targets, of which 17 were potentially novel. Muscarinic
acetylcholine receptor M5 and melatonin receptor type 1B were predicted to have vina scores
comparable to the CB1 receptor. These receptors were also shown to be targeted by drugs
designed for treating psychological conditions and sleeping disorders. Nonetheless, CBD has
a unique structure that was not predicted to be highly similar to other commercial drugs listed
on DrugBank. Our in-silico findings provide insights into the binding association between
CBD and its putative targets, which could be further studied in vitro and could be of great
benefit to clinical researchers in order to utilise cannabis for medical purposes.
Keywords
cannabis, cannabidiol, bioinformatics, drug repurposing, homology
MAEJO INTERNATIONAL JOURNAL OF SCIENCE & TECHNOLOGY