Discovery of a novel class of selective human CB1 inverse agonists.
Ligand-based virtual screening led to the discovery of a new class of potent inverse agonists of the human cannabinoid receptor 1, hCB(1), which are selective versus hCB(2). These CB(1) ligands present intriguing departures from a classical CB(1) antagonist pharmacophore. Elements of SAR are discussed in this context.
Foloppe
Nicolas
N
Vernalis (R&D) Ltd, Granta Park, Abington, Cambridge CB21 6GB, UK. n.foloppe@vernalis.com
Allen
Nicola H
NH
Bentley
Carol H
CH
Brooks
Teresa D
TD
Kennett
Guy
G
Knight
Antony R
AR
Leonardi
Stefania
S
Misra
Anil
A
Monck
Nathaniel J T
NJ
Sellwood
Daniel M
DM
D002186:Cannabinoids / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D020650:Combinatorial Chemistry Techniques; D015195:Drug Design; D006801:Humans; D008024:Ligands; D015394:Molecular Structure; D043884:Receptor, Cannabinoid, CB1 / Q000819:agonists*; D043885:Receptor, Cannabinoid, CB2 / Q000819:agonists; D013329:Structure-Activity Relationship
D002186:Cannabinoids; D008024:Ligands; D043884:Receptor, Cannabinoid, CB1; D043885:Receptor, Cannabinoid, CB2