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10.1080/03639045.2021.1934857 http://scihub22266oqcxt.onion/10.1080/03639045.2021.1934857 34038246!8204316!34038246     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 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 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 Deprecated: Implicit conversion from float 278.79999999999995 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 278.79999999999995 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 278.79999999999995 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Drug+Dev+Ind+Pharm 2021 ; 47 (5): 699-710 Nephropedia Template TP {{tp|p=34038246|t=2021. Reckoning gamma-Glutamyl-S-allylcysteine as a potential main protease (m(pro)) inhibitor of novel SARS-CoV-2 virus identified using docking and molecular dynamics simulation |pdf=|usr=}}{{34038246}} gab.com Text Reckoning gamma-Glutamyl-S-allylcysteine as a potential main protease (m(pro)) inhibitor of novel SARS-CoV-2 virus identified using docking and molecular dynamics simulation JO: Drug Dev Ind Pharm http://www.kidney.de/pget.php?&tw=1&pmid=34038246 #FOAvip Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2 or COVID-19), outbreak was first reported in December 2019 in the Wuhan, China. COVID-19 managed to spread worldwide and so far more than 9.1 million cases and more than 4.7 lakh death has been reported globally. Children, pregnant women, elderly population, immunocompromised patients, and patients with conditions like asthma, diabetes, etc. are highly vulnerable to COVID infection. Currently, there is no treatment available for COVID-19 infection. Traditional medicinal plants have provided bioactive molecules in the past that are efficiently used during conditions like cancer, malaria, microbial infections, immune-compromised states, etc. AYUSH India has recommended the use of Curcuma longa, Allium sativum, Ocimum tenuiflorum, and Withania somnifera for immune-boosting during SARS-CoV-2 infection. In the present study, we investigated the potential of 63-major bioactive molecules of these plants against SARS-CoV-2 main protease (M(pro)) through docking studies and compared the results with known inhibitor 11a. Our results proposed cuscohygrine, gamma-Glutamyl-S-allylcysteine, anahygrine, and S-allylcystein as the potent inhibitors against M(pro) identified using molecular docking and molecular simulation dynamics. Interestingly, these molecules are from A. sativum, and W. somnifera, which are known for their antimicrobial and immunomodulatory potential. None of the proposed molecules have earlier been reported as antiviral molecules. Our results predict very strong potential of these four-molecules against SARS-CoV-2 M(pro), especially gamma-glutamyl-S-allylcysteine, as all four form hydrogen bonding with Glu166 that is a crucial residue for the formation of the biologically active dimeric form of M(pro). Therefore, we strongly recommend further research on these biomolecules against SARS-CoV-2. Twit Text FOAVip Reckoning gamma-Glutamyl-S-allylcysteine as a potential main protease (m(pro)) inhibitor of novel SARS-CoV-2 virus identified using docking and molecular dynamics simulation ????Drug Dev Ind Pharm http://www.kidney.de/pget.php?&tw=1&pmid=34038246 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34038246 #FOAvip English Wikipedia <ref>{{Cite pmid|34038246}}</ref> Reckoning gamma-Glutamyl-S-allylcysteine as a potential main protease (m(pro)) inhibitor of novel SARS-CoV-2 virus identified using docking and molecular dynamics simulation #MMPMID34038246 Parashar A; Shukla A; Sharma A; Behl T; Goswami D; Mehta V Drug Dev Ind Pharm 2021[May]; 47 (5): 699-710 PMID34038246show ga Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2 or COVID-19), outbreak was first reported in December 2019 in the Wuhan, China. COVID-19 managed to spread worldwide and so far more than 9.1 million cases and more than 4.7 lakh death has been reported globally. Children, pregnant women, elderly population, immunocompromised patients, and patients with conditions like asthma, diabetes, etc. are highly vulnerable to COVID infection. Currently, there is no treatment available for COVID-19 infection. Traditional medicinal plants have provided bioactive molecules in the past that are efficiently used during conditions like cancer, malaria, microbial infections, immune-compromised states, etc. AYUSH India has recommended the use of Curcuma longa, Allium sativum, Ocimum tenuiflorum, and Withania somnifera for immune-boosting during SARS-CoV-2 infection. In the present study, we investigated the potential of 63-major bioactive molecules of these plants against SARS-CoV-2 main protease (M(pro)) through docking studies and compared the results with known inhibitor 11a. Our results proposed cuscohygrine, gamma-Glutamyl-S-allylcysteine, anahygrine, and S-allylcystein as the potent inhibitors against M(pro) identified using molecular docking and molecular simulation dynamics. Interestingly, these molecules are from A. sativum, and W. somnifera, which are known for their antimicrobial and immunomodulatory potential. None of the proposed molecules have earlier been reported as antiviral molecules. Our results predict very strong potential of these four-molecules against SARS-CoV-2 M(pro), especially gamma-glutamyl-S-allylcysteine, as all four form hydrogen bonding with Glu166 that is a crucial residue for the formation of the biologically active dimeric form of M(pro). Therefore, we strongly recommend further research on these biomolecules against SARS-CoV-2. |*COVID-19[MESH] |*SARS-CoV-2[MESH] |Aged[MESH] |Antiviral Agents[MESH] |Child[MESH] |China[MESH] |Dipeptides[MESH] |Female[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |Peptide Hydrolases[MESH] |Pregnancy[MESH]Reckoning gamma-Glutamyl-S-allylcysteine as a potential main protease (epmc).pdf DeepDyve Pubget Overpricing