| Autor: |
Kumar RP; Department of Zoology, Government College for Women, Thiruvananthapuram, Kerala, India., Siddique S; Department of Zoology, Government College for Women, Thiruvananthapuram, Kerala, India. |
| Jazyk: |
angličtina |
| Zdroj: |
Natural product research [Nat Prod Res] 2022 Aug; Vol. 36 (16), pp. 4276-4281. Date of Electronic Publication: 2021 Sep 21. |
| DOI: |
10.1080/14786419.2021.1976177 |
| Abstrakt: |
The present pandemic disease COVID-19 demands an urgent need for more efficient antiviral drugs against SARS-CoV-2. 22-Hydroxyhopane is a bioactive triterpenoid compound with antibacterial activity, present in the leaves of Adiantum latifolium . In this study, molecular docking method revealed strong binding affinity of the compound for ten proteins essential for SARS-CoV-2 multiplication in host cells, including seven nonstructural proteins, two structural proteins and one receptor protein, with a binding energy of -7.61 to -9.82 kcal/mol and inhibition constant <1 μM. MDS and MM-PBSA analysis of the best ranked complex further confirmed the results. The targets selected include six enzymes, RNA binding protein, spike protein, membrane protein and ACE2 receptor of SARS-CoV-2. It is the first report of a natural compound from A. latifolium having multitargeted activity against SARS-CoV-2. We conclude that 22-hydroxyhopane may be used as a best source for the development of novel therapeutic drugs for COVID-19, but requires further evaluations. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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