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Pharmacoinformatics and Molecular Docking studies reveal potential novel compounds against Schizophrenia by target SYN II

Author(s):

Rana Adnan Tahir and Sheikh Arslan Sehgal*  

Abstract:


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 wer 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 use for further analyses in the drug discovery processes and it has been identified as a good human intestinal absorption and 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 others inhibitors haunting.

Keywords:

Bioinformatics, Schizophrenia, SYN II, Pharmacophore, Gold, Autodock Vina, Molecular docking

Affiliation:

Department of Biosciences, COMSATS Institute of Information Technology Sahiwal, Department of Biosciences, COMSATS Institute of Information Technology Sahiwal



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