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10.3390/microorganisms8070970 http://scihub22266oqcxt.onion/10.3390/microorganisms8070970 32610445!7409236!32610445     free     free     free Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Microorganisms 2020 ; 8 (7): ä Nephropedia Template TP {{tp|p=32610445|t=2020. Microbial Natural Products as Potential Inhibitors of SARS-CoV-2 Main Protease (M(pro)) |pdf=|usr=}}{{32610445}} gab.com Text Microbial Natural Products as Potential Inhibitors of SARS-CoV-2 Main Protease (M(pro)) JO: Microorganisms http://www.kidney.de/pget.php?&tw=1&pmid=32610445 #FOAvip The main protease (M(pro)) of the newly emerged severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was subjected to hyphenated pharmacophoric-based and structural-based virtual screenings using a library of microbial natural products (>24,000 compounds). Subsequent filtering of the resulted hits according to the Lipinski's rules was applied to select only the drug-like molecules. Top-scoring hits were further filtered out depending on their ability to show constant good binding affinities towards the molecular dynamic simulation (MDS)-derived enzyme's conformers. Final MDS experiments were performed on the ligand-protein complexes (compounds 1-12, Table S1) to verify their binding modes and calculate their binding free energy. Consequently, a final selection of six compounds (1-6) was proposed to possess high potential as anti-SARS-CoV-2 drug candidates. Our study provides insight into the role of the M(pro) structural flexibility during interactions with the possible inhibitors and sheds light on the structure-based design of anti-coronavirus disease 2019 (COVID-19) therapeutics targeting SARS-CoV-2. Twit Text FOAVip Microbial Natural Products as Potential Inhibitors of SARS-CoV-2 Main Protease (M(pro)) ????Microorganisms http://www.kidney.de/pget.php?&tw=1&pmid=32610445 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32610445 #FOAvip English Wikipedia <ref>{{Cite pmid|32610445}}</ref> Microbial Natural Products as Potential Inhibitors of SARS-CoV-2 Main Protease (M(pro)) #MMPMID32610445 Sayed AM; Alhadrami HA; El-Gendy AO; Shamikh YI; Belbahri L; Hassan HM; Abdelmohsen UR; Rateb ME Microorganisms 2020[Jun]; 8 (7): ä PMID32610445show ga The main protease (M(pro)) of the newly emerged severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was subjected to hyphenated pharmacophoric-based and structural-based virtual screenings using a library of microbial natural products (>24,000 compounds). Subsequent filtering of the resulted hits according to the Lipinski's rules was applied to select only the drug-like molecules. Top-scoring hits were further filtered out depending on their ability to show constant good binding affinities towards the molecular dynamic simulation (MDS)-derived enzyme's conformers. Final MDS experiments were performed on the ligand-protein complexes (compounds 1-12, Table S1) to verify their binding modes and calculate their binding free energy. Consequently, a final selection of six compounds (1-6) was proposed to possess high potential as anti-SARS-CoV-2 drug candidates. Our study provides insight into the role of the M(pro) structural flexibility during interactions with the possible inhibitors and sheds light on the structure-based design of anti-coronavirus disease 2019 (COVID-19) therapeutics targeting SARS-CoV-2. äMicrobial Natural Products as Potential Inhibitors of SARS-CoV-2 Main (epmc).pdf DeepDyve Pubget Overpricing