Repurposing of FDA Approved Alkaloids as COVID 19 Inhibitors; in silico Studies

نویسندگان

چکیده

Background: Alkaloid drugs were permitted for using as a treatment of numerous diseases. Colchicine, codeine, piperine, papaverine, ergometrine, theophylline, theobromine and caffeine are recognized safe alkaloids used many human disfunctions. The chemical structures have flexible moieties with various electronic characters. COVID-19 is horrible disease result from that the discovering potent previously FDA approved main objective this study. Methods: docking studies interactions protease proteins. nature selected was utilized advance insights to predict new medical applications. Results: Docking completed obtained outcomes, displayed all tried great attraction five proteins, energy score ranged -2.9516 (for colchicine 5R82) -24.7449 ergotamine 5R80) kcal/mol 1-5 variable bond. Conclusion: Among tested drugs, papaverine ergometrine revealed high scores proteins (score from, -14.1058 23.1619 and, -4.7900 24.7449 ergometrine) number two three but five.

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ژورنال

عنوان ژورنال: Pharmacognosy Journal

سال: 2021

ISSN: ['0975-3575']

DOI: https://doi.org/10.5530/pj.2021.13.16