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10.1016/j.molliq.2020.113968

http://scihub22266oqcxt.onion/10.1016/j.molliq.2020.113968
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32839634!7399655!32839634
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suck abstract from ncbi


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pmid32839634      J+Mol+Liq 2020 ; 318 (ä): 113968
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  • Investigating the potential antiviral activity drugs against SARS-CoV-2 by molecular docking simulation #MMPMID32839634
  • El-Hoshoudy AN
  • J Mol Liq 2020[Nov]; 318 (ä): 113968 PMID32839634show ga
  • Recently, scary viral pneumonia is known as (COVID-19) has swept the whole world. The new virus strain designated as SARS-CoV-2 belonging to the coronavirus family. Although the current medical research directed towards the development of a novel therapeutic agent, no anti-viral drug approved until now. On the medical scale, the development of an approved drug is a time-consuming process, so research is directed towards screening of ligands and drugs multimodal structure-based-design and then docked to the main viral protease to investigate the active binding sites. The bioinformatic approaches used to evaluate the competence of a comprehensive range of ligands and drugs before their clinical implementation. In this study, a computational approach through molecular docking simulation is conducted for screening the antiviral activity of drugs, natural sources, and inhibitory compounds against the SARS-CoV-2 genome. The main virus protease was collected from a Protein Data Bank (PDB# 6YB7) and docked with a sequence of 19 approved antiviral drugs, 10 natural inhibitory ligands against COVID-19 downloaded from PubChem, in addition to 10 natural sources optimized for Escherichia coli BL(21) (DE(3)) to identify the antiviral activity of these candidates against COVID-19. The docking results were promised and indicated that the reported ligands can firmly bind to the SARS-CoV-2 main protease and leads to inhibition of its infectious impact.
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