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10.1016/j.jtcme.2021.01.006 http://scihub22266oqcxt.onion/10.1016/j.jtcme.2021.01.006 33520682!7825826!33520682     free     free     free Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=33520682&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 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       J+Tradit+Complement+Med 2021 ; 11 (2): 173-179 Nephropedia Template TP {{tp|p=33520682|t=2021. Molecular docking analysis of rutin reveals possible inhibition of SARS-CoV-2 vital proteins |pdf=|usr=}}{{33520682}} gab.com Text Molecular docking analysis of rutin reveals possible inhibition of SARS-CoV-2 vital proteins JO: J Tradit Complement Med http://www.kidney.de/pget.php?&tw=1&pmid=33520682 #FOAvip BACKGROUND AND AIM: COVID-19 emerged by the end of 2019 in Wuhan, China. It spreaded and became a public health emergency all over the world by mid of April 2020. Flavonoids are specialized metabolites that have antimicrobial properties including anti-viral activity. Rutin, a medicinally important flavonoid belongs to one of the best natural antioxidant classes. It has antiprotozoal, antibacterial, and antiviral properties. Keeping the antimicrobial potential of rutin in mind, we studied its role in the inhibition of essential proteins of SARS-CoV-2 including main protease (M(pro)), RNA-dependent RNA polymerase (RdRp), papain-like protease (PL(pro)), and spike (S)-protein through different in silico approaches. EXPERIMENTAL PROCEDURE: Molecular docking, inhibition constant, hydrogen bond calculations, and ADMET-properties prediction were performed using different softwares. RESULTS AND CONCLUSION: Molecular docking study showed significant binding of rutin with M(pro), RdRp, PL(pro), and S-proteins of SARS-CoV-2. Out of these four proteins, M(pro) exhibited the strongest binding affinity with the least binding energy (-8.9 kcal/mol) and stabilized through hydrogen bonds with bond lengths ranging from 1.18 A to 3.17 A as well as hydrophobic interactions. The predicted ADMET and bioactivity showed its optimal solubility, non-toxic, and non-carcinogenic properties. The values of the predicted inhibitory constant of the rutin with SARS-CoV-2 vital proteins ranged between 5.66 muM and 6.54 muM which suggested its promising drug candidature. This study suggested rutin alone or in combination as a dietary supplement may be used to fight against COVID-19 after detailed in vitro and in vivo studies. Twit Text FOAVip Molecular docking analysis of rutin reveals possible inhibition of SARS-CoV-2 vital proteins ????J Tradit Complement Med http://www.kidney.de/pget.php?&tw=1&pmid=33520682 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33520682 #FOAvip English Wikipedia <ref>{{Cite pmid|33520682}}</ref> Molecular docking analysis of rutin reveals possible inhibition of SARS-CoV-2 vital proteins #MMPMID33520682 Rahman F; Tabrez S; Ali R; Alqahtani AS; Ahmed MZ; Rub A J Tradit Complement Med 2021[Mar]; 11 (2): 173-179 PMID33520682show ga BACKGROUND AND AIM: COVID-19 emerged by the end of 2019 in Wuhan, China. It spreaded and became a public health emergency all over the world by mid of April 2020. Flavonoids are specialized metabolites that have antimicrobial properties including anti-viral activity. Rutin, a medicinally important flavonoid belongs to one of the best natural antioxidant classes. It has antiprotozoal, antibacterial, and antiviral properties. Keeping the antimicrobial potential of rutin in mind, we studied its role in the inhibition of essential proteins of SARS-CoV-2 including main protease (M(pro)), RNA-dependent RNA polymerase (RdRp), papain-like protease (PL(pro)), and spike (S)-protein through different in silico approaches. EXPERIMENTAL PROCEDURE: Molecular docking, inhibition constant, hydrogen bond calculations, and ADMET-properties prediction were performed using different softwares. RESULTS AND CONCLUSION: Molecular docking study showed significant binding of rutin with M(pro), RdRp, PL(pro), and S-proteins of SARS-CoV-2. Out of these four proteins, M(pro) exhibited the strongest binding affinity with the least binding energy (-8.9 kcal/mol) and stabilized through hydrogen bonds with bond lengths ranging from 1.18 A to 3.17 A as well as hydrophobic interactions. The predicted ADMET and bioactivity showed its optimal solubility, non-toxic, and non-carcinogenic properties. The values of the predicted inhibitory constant of the rutin with SARS-CoV-2 vital proteins ranged between 5.66 muM and 6.54 muM which suggested its promising drug candidature. This study suggested rutin alone or in combination as a dietary supplement may be used to fight against COVID-19 after detailed in vitro and in vivo studies. äMolecular docking analysis of rutin reveals possible inhibition of SAR(epmc).pdf DeepDyve Pubget Overpricing