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10.4155/fmc-2020-0264 http://scihub22266oqcxt.onion/10.4155/fmc-2020-0264 34169728!8240652!34169728     free     free     free Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=34169728&cmd=llinks): Failed to open stream: HTTP request failed! HTTP/1.1 429 Too Many Requests in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 215       Future+Med+Chem 2021 ; 13 (17): 1435-1450 Nephropedia Template TP {{tp|p=34169728|t=2021. Rapid structure-based identification of potential SARS-CoV-2 main protease inhibitors |pdf=|usr=}}{{34169728}} gab.com Text Rapid structure-based identification of potential SARS-CoV-2 main protease inhibitors JO: Future Med Chem http://www.kidney.de/pget.php?&tw=1&pmid=34169728 #FOAvip The COVID-19 outbreak has thrown the world into an unprecedented crisis. It has posed a challenge to scientists around the globe who are working tirelessly to combat this pandemic. We herein report a set of molecules that may serve as possible inhibitors of the SARS-CoV-2 main protease. To identify these molecules, we followed a combinatorial structure-based strategy, which includes high-throughput virtual screening, molecular docking and WaterMap calculations. The study was carried out using Protein Data Bank structures 5R82 and 6Y2G. DrugBank, Enamine, Natural product and Specs databases, along with a few known antiviral drugs, were used for the screening. WaterMap analysis aided in the recognition of high-potential molecules that can efficiently displace binding-site waters. This study may help the discovery and development of antiviral drugs against SARS-CoV-2. Twit Text FOAVip Rapid structure-based identification of potential SARS-CoV-2 main protease inhibitors ????Future Med Chem http://www.kidney.de/pget.php?&tw=1&pmid=34169728 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34169728 #FOAvip English Wikipedia <ref>{{Cite pmid|34169728}}</ref> Rapid structure-based identification of potential SARS-CoV-2 main protease inhibitors #MMPMID34169728 Sobhia ME; Kumar GS; Sivangula S; Ghosh K; Singh H; Haokip T; Gibson J Future Med Chem 2021[Sep]; 13 (17): 1435-1450 PMID34169728show ga The COVID-19 outbreak has thrown the world into an unprecedented crisis. It has posed a challenge to scientists around the globe who are working tirelessly to combat this pandemic. We herein report a set of molecules that may serve as possible inhibitors of the SARS-CoV-2 main protease. To identify these molecules, we followed a combinatorial structure-based strategy, which includes high-throughput virtual screening, molecular docking and WaterMap calculations. The study was carried out using Protein Data Bank structures 5R82 and 6Y2G. DrugBank, Enamine, Natural product and Specs databases, along with a few known antiviral drugs, were used for the screening. WaterMap analysis aided in the recognition of high-potential molecules that can efficiently displace binding-site waters. This study may help the discovery and development of antiviral drugs against SARS-CoV-2. |Antiviral Agents/*chemistry/pharmacokinetics/*pharmacology/therapeutic use[MESH] |Binding Sites/drug effects[MESH] |Catalysis[MESH] |Computer Simulation[MESH] |Coronavirus 3C Proteases/*chemistry[MESH] |Databases, Factual[MESH] |High-Throughput Screening Assays[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Molecular Structure[MESH] |Protease Inhibitors/*chemistry/pharmacokinetics[MESH] |SARS-CoV-2/*drug effects/*enzymology[MESH] |Thermodynamics[MESH]Rapid structure-based identification of potential SARS-CoV-2 main prot(epmc).pdf DeepDyve Pubget Overpricing