Author: Salman, Saad; Shah, Fahad H; Idrees, Jawaria; Idrees, Fariha; Velagala, Shreya; Ali, Johar; Khan, Abid A
Title: Virtual screening of immunomodulatory medicinal compounds as promising anti-SARS-COV-2 inhibitors Cord-id: 201ac32t Document date: 2020_5_21
ID: 201ac32t
Snippet: Aim: Severe acute respiratory syndrome coronavirus-2 (SARS-COV-2), a pernicious viral disease, causes acute respiratory distress responsible for mortality and morbidity worldwide. To screen different immunomodulatory medicinal compounds to unravel their interaction with SARS-COV-2 viral proteins. Materials & methods: A library of immunomodulatory medicinal compounds with antiviral capability were analyzed against SARS proteases, spike protein and nonstructural proteins (NSP-9, 15) using Autodock
Document: Aim: Severe acute respiratory syndrome coronavirus-2 (SARS-COV-2), a pernicious viral disease, causes acute respiratory distress responsible for mortality and morbidity worldwide. To screen different immunomodulatory medicinal compounds to unravel their interaction with SARS-COV-2 viral proteins. Materials & methods: A library of immunomodulatory medicinal compounds with antiviral capability were analyzed against SARS proteases, spike protein and nonstructural proteins (NSP-9, 15) using Autodock vina. Results: Out of more than 300 medicinal compounds, only six compounds: arzanol, ferulic acid, genistein, resveratrol, rosmanol and thymohydroquinone showed significant interaction with the SARS viral proteins by forming hydrogen bonds with the active site residues with low binding energy. Further ADMET (absorption, distribution, metabolism, excretion and toxicity) analysis showed good pharmacokinetic properties and low acute toxicity of these compounds. Conclusion: The current study provides convincing evidence that these medicinal compounds exert antiviral activity against the SARS-COV-2 virus and could be further exploited for the treatment of this disease.
Search related documents:
Co phrase search for related documents- accessory protein and acute respiratory syndrome: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25
- active residue and acute respiratory syndrome: 1, 2, 3
- active site and acute respiratory syndrome: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25
- active site and adme excretion: 1, 2, 3
- active site and adme excretion metabolism: 1, 2, 3
- active site and adme excretion metabolism distribution: 1, 2, 3
- active site and adme excretion metabolism distribution absorption: 1, 2, 3
- active site residue and acute respiratory syndrome: 1, 2
- activity spectra and acute respiratory syndrome: 1
- activity spectra and administration route: 1
- acute respiratory syndrome and adaptive immunity: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25
- acute respiratory syndrome and adaptive immunity development: 1, 2, 3, 4, 5
- acute respiratory syndrome and adme excretion: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14
- acute respiratory syndrome and adme excretion metabolism: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14
- acute respiratory syndrome and adme excretion metabolism distribution: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14
- acute respiratory syndrome and adme excretion metabolism distribution absorption: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12
- acute respiratory syndrome and administration route: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25
- acute toxicity and administration route: 1
Co phrase search for related documents, hyperlinks ordered by date