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10.1016/j.bmcl.2021.127972 http://scihub22266oqcxt.onion/10.1016/j.bmcl.2021.127972 33753260!7977011!33753260     free     free     free Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Bioorg+Med+Chem+Lett 2021 ; 40 (ä): 127972 Nephropedia Template TP {{tp|p=33753260|t=2021. SARS-CoV-2 main protease inhibition by compounds isolated from Luffa cylindrica using molecular docking |pdf=|usr=}}{{33753260}} gab.com Text SARS-CoV-2 main protease inhibition by compounds isolated from Luffa cylindrica using molecular docking JO: Bioorg Med Chem Lett http://www.kidney.de/pget.php?&tw=1&pmid=33753260 #FOAvip In this study, chemical investigation of methanol extract of the air-dried fruits of Luffa cylindrica led to the identification of a new delta-valerolactone (1), along with sixteen known compounds (2-17). Their chemical structures including the absolute configuration were elucidated by extensive spectroscopic analysis and electronic circular dichroism analysis, as well as by comparison with those reported in the literature. For the first time in literature, we have examined the binding potential of the isolated compounds to highly conserved protein, M(pro) of SARS-CoV-2 using the molecular docking technique. We found that the isolated saponins (14-17) bind to the substrate-binding pocket of SARS-CoV-2 M(pro) with docking energy scores of -7.13, -7.29, -7.47, and -7.54 kcal.mol(-1), respectively, along with binding abilities equivalent to an already claimed N3 protease inhibitor (-7.51 kcal.mol(-1)). Twit Text FOAVip SARS-CoV-2 main protease inhibition by compounds isolated from Luffa cylindrica using molecular docking ????Bioorg Med Chem Lett http://www.kidney.de/pget.php?&tw=1&pmid=33753260 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33753260 #FOAvip English Wikipedia <ref>{{Cite pmid|33753260}}</ref> SARS-CoV-2 main protease inhibition by compounds isolated from Luffa cylindrica using molecular docking #MMPMID33753260 Cao TQ; Kim JA; Woo MH; Min BS Bioorg Med Chem Lett 2021[May]; 40 (ä): 127972 PMID33753260show ga In this study, chemical investigation of methanol extract of the air-dried fruits of Luffa cylindrica led to the identification of a new delta-valerolactone (1), along with sixteen known compounds (2-17). Their chemical structures including the absolute configuration were elucidated by extensive spectroscopic analysis and electronic circular dichroism analysis, as well as by comparison with those reported in the literature. For the first time in literature, we have examined the binding potential of the isolated compounds to highly conserved protein, M(pro) of SARS-CoV-2 using the molecular docking technique. We found that the isolated saponins (14-17) bind to the substrate-binding pocket of SARS-CoV-2 M(pro) with docking energy scores of -7.13, -7.29, -7.47, and -7.54 kcal.mol(-1), respectively, along with binding abilities equivalent to an already claimed N3 protease inhibitor (-7.51 kcal.mol(-1)). |Antiviral Agents/chemistry/isolation & purification/*metabolism[MESH] |Catalytic Domain[MESH] |Coronavirus 3C Proteases/chemistry/*metabolism[MESH] |Cysteine Proteinase Inhibitors/chemistry/isolation & purification/*metabolism[MESH] |Fruit/chemistry[MESH] |Luffa/*chemistry[MESH] |Molecular Docking Simulation[MESH] |Protein Binding[MESH] |SARS-CoV-2/*drug effects[MESH]SARS-CoV-2 main protease inhibition by compounds isolated from Luffa c(epmc).pdf DeepDyve Pubget Overpricing