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10.1016/j.compbiomed.2021.104758 http://scihub22266oqcxt.onion/10.1016/j.compbiomed.2021.104758 34411900!8354799!34411900     free     free     free Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Comput+Biol+Med 2021 ; 136 (ä): 104758 Nephropedia Template TP {{tp|p=34411900|t=2021. Camphor, Artemisinin and Sumac Phytochemicals as inhibitors against COVID-19: Computational approach |pdf=|usr=}}{{34411900}} gab.com Text Camphor, Artemisinin and Sumac Phytochemicals as inhibitors against COVID-19: Computational approach JO: Comput Biol Med http://www.kidney.de/pget.php?&tw=1&pmid=34411900 #FOAvip Covid-19 is an emerging infectious disease caused by coronavirus SARS-CoV-2. Due to the rapid rise in deaths resulted from this infection all around the world, the identification of drugs against this new coronavirus is an important requirement. Among the drugs that can fight this type of infection; natural products are substances that serve as sources of beneficial chemical molecules for the development of effective therapies. In this study, Camphor, Artemisinin and 14 Sumac phytochemicals were docked in the active site of SARS-CoV-2 main protease (PDB code: 6LU7). We have also performed molecular dynamic simulation at 100 ns with MM-GBSA/PBSA analysis for the structures with the best affinity in the binding site of the studied enzyme (Hinokiflavone and Myricetin) after docking calculations to consider parameters like RMSD, covariance, PCA, radius of gyration, potential energy, temperature and pressure. The result indicates that Hinokiflavone and Myricetin are the structures with best affinity and stability in the binding site of the studied enzyme and they respect the conditions mentioned in Lipinski's rule and have acceptable ADMET proprieties; so, these compounds have important pharmacokinetic properties and bioavailability, and they could have more potent antiviral treatment of COVID-19 than the other studied compounds. Twit Text FOAVip Camphor, Artemisinin and Sumac Phytochemicals as inhibitors against COVID-19: Computational approach ????Comput Biol Med http://www.kidney.de/pget.php?&tw=1&pmid=34411900 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34411900 #FOAvip English Wikipedia <ref>{{Cite pmid|34411900}}</ref> Camphor, Artemisinin and Sumac Phytochemicals as inhibitors against COVID-19: Computational approach #MMPMID34411900 Belhassan A; Zaki H; Chtita S; Alaqarbeh M; Alsakhen N; Benlyas M; Lakhlifi T; Bouachrine M Comput Biol Med 2021[Sep]; 136 (ä): 104758 PMID34411900show ga Covid-19 is an emerging infectious disease caused by coronavirus SARS-CoV-2. Due to the rapid rise in deaths resulted from this infection all around the world, the identification of drugs against this new coronavirus is an important requirement. Among the drugs that can fight this type of infection; natural products are substances that serve as sources of beneficial chemical molecules for the development of effective therapies. In this study, Camphor, Artemisinin and 14 Sumac phytochemicals were docked in the active site of SARS-CoV-2 main protease (PDB code: 6LU7). We have also performed molecular dynamic simulation at 100 ns with MM-GBSA/PBSA analysis for the structures with the best affinity in the binding site of the studied enzyme (Hinokiflavone and Myricetin) after docking calculations to consider parameters like RMSD, covariance, PCA, radius of gyration, potential energy, temperature and pressure. The result indicates that Hinokiflavone and Myricetin are the structures with best affinity and stability in the binding site of the studied enzyme and they respect the conditions mentioned in Lipinski's rule and have acceptable ADMET proprieties; so, these compounds have important pharmacokinetic properties and bioavailability, and they could have more potent antiviral treatment of COVID-19 than the other studied compounds. |*Artemisinins[MESH] |*COVID-19[MESH] |*Rhus[MESH] |Camphor[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |Phytochemicals/pharmacology[MESH] |Protease Inhibitors[MESH]Camphor, Artemisinin and Sumac Phytochemicals as inhibitors against CO(epmc).pdf DeepDyve Pubget Overpricing