Image:Q7TLC7.Y14 CVHSA.pdb

Summary

Drugabble genome of Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the strain of coronavirus that causes coronavirus disease 2019 (COVID-19), 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: Q7TLC7

Gene Name: ORF14

Amino Acid Length: 70

Physiochemical Characteristics

Percentage of polar amino acids : 35.714% Percentage of non-polar amino acids: 64.286%

Theoretical Iso-electric pH: 5.987

Molecular Weight: 7.852 kDa

Hydrophob/Hydrophil_Index: 0.255857

Total VDW repulsion energy: 6.91855 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