Inhibition of 2C Coxsackie B Virus Protein to Decrease Pathogenicity of Diabetes Mellitus Type1

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Author(s): Amina Amin, Muhammad Asif Rasheed*, Rana Aamir Diwan, Saddia Bano, Adnan Riaz, Muhammad Nasir Iqbal, Muhammad Wasim Sajid, Muhammad Shahid.

Journal Name: Current Computer-Aided Drug Design

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Abstract:

Background: Insulin-dependent diabetes mellitus type 1 (T1D), also referred to as autoimmune diabetes. T1D is a chronic disease which is characterized by way of insulin deficiency. The deficiency is due to pancreatic β cell loss and leads to hyperglycemia. There are many factors which play significant role in T1D disease pathogenicity including genetic predisposition, the immune system and environmental factors. The environmental factors may include Coxsackie B4 virus a small RNA virus.

Objective: The objective of current in silico study is to identify active lead compounds against Coxsackie B4 virus a small RNA virus has been reported in diabetic patients after PCR. There is a need to predict inhibitors against TID caused by Coxsackie B4 viral protein that may used as a drug against TID in future.

Method: For this purpose, different bioinformatics databases and tools were used. The docking tools were used to identify the target site of the protein and interaction of different inhibitors with the target protein molecule.

Results: Based on analysis, two lead compounds ZINC00034488 and ZINC00034585 were selected as potential drugs. These compounds have best interaction energy and fulfill Lipinski rule, Veberrule, ghose Rule, Weighted QED, Unweighted QED and BBB likeness parameters and are non-toxic.

Conclusion: Our work will help researchers to get an idea about the understanding of chemicals against Coxsackie B4 Viruses and helpful for researchers to design a drug and test these chemicals as a drug to overcome Diabetes Mellitus Type1 caused by coxsackie B4 viruses.

Keywords: Type 1 Diabetes, Enterovirus, Drug Designing, Coxsackie B4, Environmental factors , Lead compounds

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Article Details

(E-pub Ahead of Print)
DOI: 10.2174/1573409915666190820154422
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