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Can Antimalarial Phytochemicals be a Possible Cure for COVID-19? Molecular Docking Studies of Some Phytochemicals to SARS-CoV-2 3C-like Protease.
- Source :
-
Infectious disorders drug targets [Infect Disord Drug Targets] 2022; Vol. 22 (1), pp. e290721195143. - Publication Year :
- 2022
-
Abstract
- Objective: To evaluate the efficacy of reported anti-malarial phytochemicals as lead compounds for possible drug development against COVID-19.<br />Methods: An in silico approach was used in this study to determine through molecular docking the binding affinities and site of binding of these phytochemicals to the 3C-like protease of COVID-19 which is considered as the main protease of the virus.<br />Results: A number of anti-malarial phytochemicals like apigenin-7-O-glucoside, decurvisine, luteolin- 7-O-glucoside, sargabolide J, and shizukaols A, B, F, and G showed predicted high binding energies with ΔG values of -8.0 kcal/mol or higher. Shizukaols F and B demonstrated the best binding energies of -9.5 and -9.8, respectively. The acridone alkaloid 5-hydroxynoracronycine also gave a predicted high binding energy of -7.9 kcal/mol.<br />Conclusion: This is for the first time that decursivine and several shizukaols were reported as potential anti-viral agents. These compounds merit further studies to determine whether they can be effective drug candidates against COVID-19.<br /> (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)
- Subjects :
- Antiviral Agents chemistry
Antiviral Agents pharmacology
Antiviral Agents therapeutic use
Coronavirus 3C Proteases
Glucosides
Humans
Molecular Docking Simulation
Peptide Hydrolases
Phytochemicals pharmacology
Phytochemicals therapeutic use
SARS-CoV-2
Antimalarials pharmacology
Antimalarials therapeutic use
COVID-19 Drug Treatment
Subjects
Details
- Language :
- English
- ISSN :
- 2212-3989
- Volume :
- 22
- Issue :
- 1
- Database :
- MEDLINE
- Journal :
- Infectious disorders drug targets
- Publication Type :
- Academic Journal
- Accession number :
- 34376138
- Full Text :
- https://doi.org/10.2174/1871526521666210729164054