Image:M4SVF1 MERS.pdb

Summary

Potential drugabble genome of Middle East Respiratory Syndrome Coronavirus (MERS-CoV), to find the therapeutic potential by using various in silico approaches. After successful physiochemical, stoichiometric and geometric characterization and screening of druggable candidates, on the basis of set parameters, potential drug target candidates present in the viral strain were selected for further analysis for final selection a drug candidate against the virus. To this aim molecular modeling was carried out to gain insights into active site and modeling was performed via web servers including SWISS-MODEL, GalaxyRefine, ModWeb, Phyre2. Models were optimized using GalaxyRefine and best modeled structures were selected and used for molecular docking studies.

This structure is one of four structures of an ongoing collaborative study.

Function

Unknown

Source Database

UniProt

accession: M4SVF1

Gene Name: ORF5

Amino Acid Length: 224

Physiochemical Characteristics

Percentage of polar amino acids : 36.161% Percentage of non-polar amino acids: 63.839%

Theoretical Iso-electric pH: 8.477

Molecular Weight: 25.246kDa

Hydrophob/Hydrophil_Index: 0.4661161

Total VDW repulsion energy: 8.45043 kcal/mol

Homology Modelling

SWISS-MODEL

GalaxyRefine*

Phyre2

• = model used

Licensing

I, the copyright holder of this work, hereby publish it under the following license: Creative Commons Attribution 3.0 License