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10.1080/07391102.2020.1821785 http://scihub22266oqcxt.onion/10.1080/07391102.2020.1821785 32940134!7544932!32940134     free     free     free Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=32940134&cmd=llinks): Failed to open stream: HTTP request failed! 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A dynamic simulation study of FDA drug from zinc database against COVID-19 main protease receptor |pdf=|usr=}}{{32940134}} gab.com Text A dynamic simulation study of FDA drug from zinc database against COVID-19 main protease receptor JO: J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=32940134 #FOAvip The sudden outbreak of COVID-19 has been responsible for several deaths across the globe. Due to its high contagious nature, it spreads from one human to another very quickly. Now it becomes a global public health threat with no approved treatments. In silico techniques can accelerate the drug development process. Our research aimed to identify the novel drugs for inhibition of Main protease (Mpro) enzyme of COVID-19 by performing in silico approach. In this context, a library consisting of 3180 FDA-approved drugs from 'the ZINC database' was used to identify novel drug candidates against 'the Mpro' of SARS-CoV-2. Initially, the top 10 drugs out of 3180 drugs were selected by molecular docking according to their binding score. Among 10 selected drugs; seven drugs that showed binding with Mpro enzyme residue Glu166 were subjected to100 ns Molecular dynamics (MD) simulation. Out of seven compounds, four namely, ZINC03831201, ZINC08101052, ZINC01482077, and ZINC03830817 were found significant based on MD simulation results. Furthermore, RMSD, RMSF, RG, SASA, PCA, MMPBSA (for last 40 ns) were calculated for the 100 ns trajectory period. Currently, the world needs potent drugs in a short period and this work suggests that these four drugs could be used as novel drugs against COVID-19 and it also provides new lead compounds for further in vitro, in vivo, and ongoing clinical studies against SARS-CoV-2.Communicated by Ramaswamy H. Sarma. Twit Text FOAVip A dynamic simulation study of FDA drug from zinc database against COVID-19 main protease receptor ????J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=32940134 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32940134 #FOAvip English Wikipedia <ref>{{Cite pmid|32940134}}</ref> A dynamic simulation study of FDA drug from zinc database against COVID-19 main protease receptor #MMPMID32940134 Mathpal S; Joshi T; Sharma P; Joshi T; Pundir H; Pande V; Chandra S J Biomol Struct Dyn 2022[Feb]; 40 (3): 1084-1100 PMID32940134show ga The sudden outbreak of COVID-19 has been responsible for several deaths across the globe. Due to its high contagious nature, it spreads from one human to another very quickly. Now it becomes a global public health threat with no approved treatments. In silico techniques can accelerate the drug development process. Our research aimed to identify the novel drugs for inhibition of Main protease (Mpro) enzyme of COVID-19 by performing in silico approach. In this context, a library consisting of 3180 FDA-approved drugs from 'the ZINC database' was used to identify novel drug candidates against 'the Mpro' of SARS-CoV-2. Initially, the top 10 drugs out of 3180 drugs were selected by molecular docking according to their binding score. Among 10 selected drugs; seven drugs that showed binding with Mpro enzyme residue Glu166 were subjected to100 ns Molecular dynamics (MD) simulation. Out of seven compounds, four namely, ZINC03831201, ZINC08101052, ZINC01482077, and ZINC03830817 were found significant based on MD simulation results. Furthermore, RMSD, RMSF, RG, SASA, PCA, MMPBSA (for last 40 ns) were calculated for the 100 ns trajectory period. Currently, the world needs potent drugs in a short period and this work suggests that these four drugs could be used as novel drugs against COVID-19 and it also provides new lead compounds for further in vitro, in vivo, and ongoing clinical studies against SARS-CoV-2.Communicated by Ramaswamy H. Sarma. |*COVID-19[MESH] |*Pharmaceutical Preparations[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Peptide Hydrolases[MESH] |SARS-CoV-2[MESH]A dynamic simulation study of FDA drug from zinc database against COVI(epmc).pdf DeepDyve Pubget Overpricing