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Identification of Food Compounds as inhibitors of SARS-CoV-2 main protease using molecular docking and molecular dynamics simulations

SARS-CoV-2 has rapidly emerged as a global pandemic with high infection rate. At present, there is no drug available for this deadly disease. Recently, M(pro) (Main Protease) enzyme has been identified as essential proteins for the survival of this virus. In the present work, Lipinski's rules a...

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Vydáno v:Chemometr Intell Lab Syst
Hlavní autoři: Masand, Vijay H., Sk, Md Fulbabu, Kar, Parimal, Rastija, Vesna, Zaki, Magdi E.A.
Médium: Artigo
Jazyk:Inglês
Vydáno: Elsevier B.V. 2021
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC8295492/
https://ncbi.nlm.nih.gov/pubmed/34312571
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.chemolab.2021.104394
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