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RE: Natural products: THC - Tetrahydrocannabinol & CBD - Cannabidiol, going medical!
I am thinking of trying to use PyMol to see if I can figure out why CBDs treat diseases. I'd like to see if it breaks the bonds of the diseased molecule or if it bonds to it and causes it to be inert.
Yeah one can use pymol to draw concultions of possible interactions.
But to generate a full binding map, one would pretty much be required to crystalliz target proteins with THC or CBD liagnad and doing affinity studies and or mutant studies on the side to gather precise information enough. Or use NMR but those magnets are kinda rare!
I think it is mostly about activating the declining endocannabinoid system and helping the brain to function is "phase" which prevents Parkinson symptoms and epilepsy, seen on short time spans. On longer time spans it seems to promote transcription of important proteins!
I read a nice study from Nature mag called: A chronic low dose of Δ9-tetrahydrocannabinol (THC) restores cognitive function in old mice.
They actually linked THC treatments to increased transcription of Synapsin 1, a protein that is important to produce new synapses :) fantastic science to read if your interested!
Peace