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10.1007/s11030-020-10130-1 http://scihub22266oqcxt.onion/10.1007/s11030-020-10130-1 32737681!7393348!32737681     free     free     free Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Mol+Divers 2021 ; 25 (1): 383-401 Nephropedia Template TP {{tp|p=32737681|t=2021. Identification of potential Mpro inhibitors for the treatment of COVID-19 by using systematic virtual screening approach |pdf=|usr=}}{{32737681}} gab.com Text Identification of potential Mpro inhibitors for the treatment of COVID-19 by using systematic virtual screening approach JO: Mol Divers http://www.kidney.de/pget.php?&tw=1&pmid=32737681 #FOAvip The Corona virus Disease (COVID-19) is caused because of novel coronavirus (SARS-CoV-2) pathogen detected in China for the first time, and from there it spread across the globe creating a worldwide pandemic of severe respiratory complications. The virus requires structural and non-structural proteins for its multiplication that are produced from polyproteins obtained by translation of its genomic RNA. These polyproteins are converted into structural and non-structural proteins mainly by the main protease (Mpro). A systematic screening of a drug library (having drugs and diagnostic agents which are approved by FDA or other world authorities) and the Asinex BioDesign library was carried out using pharmacophore and sequential conformational precision level filters using the Schrodinger Suite. From the screening of approved drug library, three antiviral agents ritonavir, nelfinavir and saquinavir were predicted to be the most potent Mpro inhibitors. Apart from these pralmorelin, iodixanol and iotrolan were also identified from the systematic screening. As iodixanol and iotrolan carry some limitations, structural modifications in them could lead to stable and safer antiviral agents. Screenings of Asinex BioDesign library resulted in 20 molecules exhibiting promising interactions with the target protein Mpro. They can broadly be categorized into four classes based on the nature of the scaffold, viz. disubstituted pyrazoles, cyclic amides, pyrrolidine-based compounds and miscellaneous derivatives. These could be used as potential molecules or hits for further drug development to obtain clinically useful therapeutic agents for the treatment of COVID-19. Twit Text FOAVip Identification of potential Mpro inhibitors for the treatment of COVID-19 by using systematic virtual screening approach ????Mol Divers http://www.kidney.de/pget.php?&tw=1&pmid=32737681 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32737681 #FOAvip English Wikipedia <ref>{{Cite pmid|32737681}}</ref> Identification of potential Mpro inhibitors for the treatment of COVID-19 by using systematic virtual screening approach #MMPMID32737681 Kanhed AM; Patel DV; Teli DM; Patel NR; Chhabria MT; Yadav MR Mol Divers 2021[Feb]; 25 (1): 383-401 PMID32737681show ga The Corona virus Disease (COVID-19) is caused because of novel coronavirus (SARS-CoV-2) pathogen detected in China for the first time, and from there it spread across the globe creating a worldwide pandemic of severe respiratory complications. The virus requires structural and non-structural proteins for its multiplication that are produced from polyproteins obtained by translation of its genomic RNA. These polyproteins are converted into structural and non-structural proteins mainly by the main protease (Mpro). A systematic screening of a drug library (having drugs and diagnostic agents which are approved by FDA or other world authorities) and the Asinex BioDesign library was carried out using pharmacophore and sequential conformational precision level filters using the Schrodinger Suite. From the screening of approved drug library, three antiviral agents ritonavir, nelfinavir and saquinavir were predicted to be the most potent Mpro inhibitors. Apart from these pralmorelin, iodixanol and iotrolan were also identified from the systematic screening. As iodixanol and iotrolan carry some limitations, structural modifications in them could lead to stable and safer antiviral agents. Screenings of Asinex BioDesign library resulted in 20 molecules exhibiting promising interactions with the target protein Mpro. They can broadly be categorized into four classes based on the nature of the scaffold, viz. disubstituted pyrazoles, cyclic amides, pyrrolidine-based compounds and miscellaneous derivatives. These could be used as potential molecules or hits for further drug development to obtain clinically useful therapeutic agents for the treatment of COVID-19. |*COVID-19 Drug Treatment[MESH] |Antiviral Agents/*therapeutic use[MESH] |COVID-19/virology[MESH] |Coronavirus 3C Proteases/*antagonists & inhibitors[MESH] |Drug Evaluation, Preclinical/methods[MESH] |Humans[MESH] |Mass Screening/methods[MESH] |Molecular Docking Simulation[MESH] |Pandemics/prevention & control[MESH] |Protease Inhibitors/*pharmacology[MESH] |SARS-CoV-2/*drug effects/metabolism[MESH]Identification of potential Mpro inhibitors for the treatment of COVID(epmc).pdf DeepDyve Pubget Overpricing