Image:J9SEF0 CVHSA.pdb
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| + | <StructureSection load='J9SEF0_CVHSA.pdb' size='400' side='right' caption='J9SEF0_CVHSA MODELLED COVID19 PROTEIN' scene='76/763091/J9sef0_cvhsa_in_action/1'> | ||
== Summary == | == 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. | 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 study is still ongoing | This study is still ongoing | ||
| + | |||
| + | == Function == | ||
| + | Unknown | ||
| + | |||
| + | == Source Database == | ||
| + | UniProt | ||
| + | |||
| + | accession: J9SEF0 | ||
| + | |||
| + | Gene Name: ORF3a | ||
| + | |||
| + | Amino Acid Length: 274 | ||
| + | |||
| + | == Physiochemical Characteristics == | ||
| + | |||
| + | Percentage of polar amino acids : 39.051% Percentage of non-polar amino acids: 60.584% | ||
| + | |||
| + | Theoretical Iso-electric pH: 5.484 | ||
| + | |||
| + | Molecular Weight: 30.924kDa | ||
| + | |||
| + | Hydrophob/Hydrophil_Index: 0.2567153 | ||
| + | |||
| + | Total VDW repulsion energy: 41.5724 kcal/mol | ||
| + | |||
| + | |||
| + | == Homology Modelling == | ||
| + | SWISS-MODEL* | ||
| + | |||
| + | GalaxyRefine | ||
| + | |||
| + | Phyre2 | ||
| + | |||
| + | * = model used | ||
| + | |||
== Licensing == | == Licensing == | ||
{{self|cc-by-3.0}} | {{self|cc-by-3.0}} | ||
Current revision
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| Date/Time | User | Dimensions | File size | Comment | |
|---|---|---|---|---|---|
| (current) | 10:24, 23 August 2020 | Folagbade Muyiwa Abitogun (Talk | contribs) | 129 KB | J9SEF0 CVHSA.pdb | |
| 09:44, 23 August 2020 | Folagbade Muyiwa Abitogun (Talk | contribs) | 107 KB | 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 physioch |
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