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10.1080/07391102.2021.1898475 http://scihub22266oqcxt.onion/10.1080/07391102.2021.1898475 33719855!ä!33719855 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 247.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Biomol+Struct+Dyn 2022 ; 40 (16): 7517-7534 Nephropedia Template TP {{tp|p=33719855|t=2022. Potentiality of Moringa oleifera against SARS-CoV-2: identified by a rational computer aided drug design method |pdf=|usr=}}{{33719855}} gab.com Text Potentiality of Moringa oleifera against SARS-CoV-2: identified by a rational computer aided drug design method JO: J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=33719855 #FOAvip Coronavirus disease 2019 (COVID-19) has created a global human health crisis and economic setbacks. Lack of specific therapeutics and limited treatment options against COVID-19 has become a new challenge to identify potential hits in order to develop new therapeutics. One of the crucial life cycle enzymes of SARS-CoV-2 is main protease (M(pro)), which plays a major role in mediating viral replication, makes it an attractive drug target. Virtual screening and three times repeated 100 ns molecular dynamics simulation of the best hits were performed to identify potential SARS-CoV-2 M(pro) inhibitors from the available compounds of an antiviral plant Moringa oleifera. Three flavonoids isorhamnetin (1), kaempferol (2) and apigenin (3) showed good binding affinity, stable protein-ligand complexes throughout the simulation time, high binding energy and similar binding poses in comparison with known SARS-CoV-2 M(pro) inhibitor baicalein. Therefore, different parts of M. oleifera may be emerged as a potential preventive and therapeutic against COVID-19. Twit Text FOAVip Potentiality of Moringa oleifera against SARS-CoV-2: identified by a rational computer aided drug design method ????J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=33719855 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33719855 #FOAvip English Wikipedia <ref>{{Cite pmid|33719855}}</ref> Potentiality of Moringa oleifera against SARS-CoV-2: identified by a rational computer aided drug design method #MMPMID33719855 Sen D; Bhaumik S; Debnath P; Debnath S J Biomol Struct Dyn 2022[Oct]; 40 (16): 7517-7534 PMID33719855show ga Coronavirus disease 2019 (COVID-19) has created a global human health crisis and economic setbacks. Lack of specific therapeutics and limited treatment options against COVID-19 has become a new challenge to identify potential hits in order to develop new therapeutics. One of the crucial life cycle enzymes of SARS-CoV-2 is main protease (M(pro)), which plays a major role in mediating viral replication, makes it an attractive drug target. Virtual screening and three times repeated 100 ns molecular dynamics simulation of the best hits were performed to identify potential SARS-CoV-2 M(pro) inhibitors from the available compounds of an antiviral plant Moringa oleifera. Three flavonoids isorhamnetin (1), kaempferol (2) and apigenin (3) showed good binding affinity, stable protein-ligand complexes throughout the simulation time, high binding energy and similar binding poses in comparison with known SARS-CoV-2 M(pro) inhibitor baicalein. Therefore, different parts of M. oleifera may be emerged as a potential preventive and therapeutic against COVID-19. |*COVID-19 Drug Treatment[MESH] |*Moringa oleifera/metabolism[MESH] |Coronavirus 3C Proteases[MESH] |Cysteine Endopeptidases/chemistry[MESH] |Drug Design[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |Protease Inhibitors/chemistry[MESH] |SARS-CoV-2[MESH]Potentiality of Moringa oleifera against SARS-CoV-2: identified by a r(epmc).pdf DeepDyve Pubget Overpricing