Discovery of Novel Phosphodiesterase-2A Inhibitors by Structure-Based Virtual Screening, Structural Optimization, and Bioassay

Phosphodiesterase-2A (PDE2A) is a potential therapeutic target for treatment of Alzheimer’s disease and pulmonary hypertension. However, most of the current PDE2A inhibitors have moderate selectivity over other PDEs. In the present study, we described the discovery of novel PDE2A inhibitors by struc...

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Veröffentlicht in:	Journal of chemical information and modeling 2017-02, Vol.57 (2), p.355-364
Hauptverfasser:	Zhang, Chen, Feng, Ling-Jun, Huang, Yiyou, Wu, Deyan, Li, Zhe, Zhou, Qian, Wu, Yinuo, Luo, Hai-Bin
Format:	Artikel
Sprache:	eng
Schlagworte:	Alzheimer's disease Bioassays Computer simulation Cyclic Nucleotide Phosphodiesterases, Type 2 - antagonists & inhibitors Cyclic Nucleotide Phosphodiesterases, Type 2 - metabolism Drug Design Drug Evaluation, Preclinical - methods Hydrogen Bonding Indoles - chemistry Indoles - metabolism Indoles - pharmacology Inhibitor drugs Inhibitory Concentration 50 Molecular Docking Simulation Molecular Dynamics Simulation Molecules Phosphodiesterase Inhibitors - chemistry Phosphodiesterase Inhibitors - metabolism Phosphodiesterase Inhibitors - pharmacology Pulmonary hypertension User-Computer Interface
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