Journal of medicinal chemistry · 2014
Discovery of a phosphodiesterase 9A inhibitor as a potential hypoglycemic agent.
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Shao Yong-xian, Huang Manna, Cui Wenjun, Feng Ling-Jun, Wu Yinuo, Cai Yinghong, Li Zhe, Zhu Xinhai, Liu Peiqing, Wan Yiqian, Ke Hengming, Luo Hai-Bin
Аннотация
Phosphodiesterase 9 (PDE9) inhibitors have been studied as potential therapeutics for treatment of diabetes and Alzheimer's disease. Here we report a potent PDE9 inhibitor 3r that has an IC50 of 0.6 nM and >150-fold selectivity over other PDEs. The HepG2 cell-based assay shows that 3r inhibits the mRNA expression of phosphoenolpyruvate carboxykinase and glucose 6-phosphatase. These activities of 3r, together with the reasonable pharmacokinetic properties and no acute toxicity at 1200 mg/kg dosage, suggest its potential as a hypoglycemic agent. The crystal structure of PDE9-3r reveals significantly different conformation and hydrogen bonding pattern of 3r from those of previously published 28s. Both 3r and 28s form a hydrogen bond with Tyr424, a unique PDE9 residue (except for PDE8), but 3r shows an additional hydrogen bond with Ala452. This structure information might be useful for design of PDE9 inhibitors.
Предметные рубрики MeSH
3',5'-Cyclic-AMP PhosphodiesterasesAnimalsBlotting, WesternBody FluidsCatalytic DomainCrystallography, X-RayDrug DiscoveryGene Expression Regulation, NeoplasticGlucose-6-PhosphataseHep G2 CellsHumansHydrogen BondingHypoglycemic AgentsMiceMicrosomes, LiverModels, MolecularMolecular StructurePhosphodiesterase InhibitorsProtein Serine-Threonine KinasesPyrazolesPyrimidinonesRNA, MessengerReal-Time Polymerase Chain ReactionReverse Transcriptase Polymerase Chain ReactionStructure-Activity RelationshipTissue Distribution