Ontology highlight
ABSTRACT:
SUBMITTER: Fish I
PROVIDER: S-EPMC5836741 | biostudies-literature | 2017 Nov
REPOSITORIES: biostudies-literature
Fish Inbar I Stößel Anne A Eitel Katrin K Valant Celine C Albold Sabine S Huebner Harald H Möller Dorothee D Clark Mary J MJ Sunahara Roger K RK Christopoulos Arthur A Shoichet Brian K BK Gmeiner Peter P
Journal of medicinal chemistry 20171113 22
Muscarinic receptor agonists are characterized by apparently strict restraints on their tertiary or quaternary amine and their distance to an ester or related center. On the basis of the active state crystal structure of the muscarinic M<sub>2</sub> receptor in complex with iperoxo, we explored potential agonists that lacked the highly conserved functionalities of previously known ligands. Using structure-guided pharmacophore design followed by docking, we found two agonists (compounds 3 and 17) ...[more]