Ontology highlight
ABSTRACT:
SUBMITTER: Patel N
PROVIDER: S-EPMC7080406 | biostudies-literature | 2020 Mar
REPOSITORIES: biostudies-literature
Patel Nilkanth N Huang Xi Ping XP Grandner Jessica M JM Johansson Linda C LC Stauch Benjamin B McCorvy John D JD Liu Yongfeng Y Roth Bryan B Katritch Vsevolod V
eLife 20200302
Melatonin receptors MT<sub>1</sub> and MT<sub>2</sub> are involved in synchronizing circadian rhythms and are important targets for treating sleep and mood disorders, type-2 diabetes and cancer. Here, we performed large scale structure-based virtual screening for new ligand chemotypes using recently solved high-resolution 3D crystal structures of agonist-bound MT receptors. Experimental testing of 62 screening candidates yielded the discovery of 10 new agonist chemotypes with sub-micromolar pote ...[more]