期刊
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING
卷 21, 期 3, 页码 175-181出版社
BENTHAM SCIENCE PUBL LTD
DOI: 10.2174/1386207321666180213092018
关键词
Bioinformatics; Schizophrenia; SYN II; pharmacophore; gold; autodock vina; molecular docking
Background: Synapsin II regulates neurotransmitter release from mature nerve terminals and plays important role in the formation of new nerve terminals. The associations of SYN II are identified in various studies that are linked to the onset of Schizophrenia. Schizophrenia is characterized by abnormal behavior like obsession, dampening of emotions and auditory hallucination. Methods: The bioinformatics approaches were utilized for structural modeling and docking analyses of SYN II followed by pharmacophore generation to identify potent inhibitors. Results: The comparative modeling approach was employed to generate the 3D model having 82.404% quality factor calculated by Errat. Pharmacophore was constructed by utilizing merge molecular and chemical features of selected five FDA approved Schizophrenia drugs by LigandScout 4.1.5. Comparative docking analyses were performed by utilizing the selected drugs and top screened hits by GOLD and AutoDock Vina. Conclusion: It was proposed that Aripiprazole drug and scrutinized compounds have strong binding affinities among the other selected drugs. The reported compounds may be used for further analyses in the drug discovery processes, as they have shown good human intestinal absorption and are non-carcinogenic. The present study provides the structural insights which may be used for further understating of the Schizophrenia therapeutic purposes by targeting SYN II and other inhibitors haunting.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据