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10.3390/molecules26092806 http://scihub22266oqcxt.onion/10.3390/molecules26092806 34068579!8126168!34068579     free     free     free Deprecated: Implicit conversion from float 225.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 225.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 225.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 225.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 225.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 225.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 259.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 259.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 259.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 259.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 259.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 259.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Molecules 2021 ; 26 (9): ä Nephropedia Template TP {{tp|p=34068579|t=2021. In Silico Studies of Some Isoflavonoids as Potential Candidates against COVID-19 Targeting Human ACE2 (hACE2) and Viral Main Protease (M(pro)) |pdf=|usr=}}{{34068579}} gab.com Text In Silico Studies of Some Isoflavonoids as Potential Candidates against COVID-19 Targeting Human ACE2 (hACE2) and Viral Main Protease (M(pro)) JO: Molecules http://www.kidney.de/pget.php?&tw=1&pmid=34068579 #FOAvip The Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) caused the "COVID-19" disease that has been declared by WHO as a global emergency. The pandemic, which emerged in China and widespread all over the world, has no specific treatment till now. The reported antiviral activities of isoflavonoids encouraged us to find out its in silico anti-SARS-CoV-2 activity. In this work, molecular docking studies were carried out to investigate the interaction of fifty-nine isoflavonoids against hACE2 and viral M(pro). Several other in silico studies including physicochemical properties, ADMET and toxicity have been preceded. The results revealed that the examined isoflavonoids bound perfectly the hACE-2 with free binding energies ranging from -24.02 to -39.33 kcal mol(-1), compared to the co-crystallized ligand (-21.39 kcal mol(-1)). Furthermore, such compounds bound the M(pro) with unique binding modes showing free binding energies ranging from -32.19 to -50.79 kcal mol(-1), comparing to the co-crystallized ligand (binding energy = -62.84 kcal mol(-1)). Compounds 33 and 56 showed the most acceptable affinities against hACE2. Compounds 30 and 53 showed the best docking results against M(pro). In silico ADMET studies suggest that most compounds possess drug-likeness properties. Twit Text FOAVip In Silico Studies of Some Isoflavonoids as Potential Candidates against COVID-19 Targeting Human ACE2 (hACE2) and Viral Main Protease (M(pro)) ????Molecules http://www.kidney.de/pget.php?&tw=1&pmid=34068579 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34068579 #FOAvip English Wikipedia <ref>{{Cite pmid|34068579}}</ref> In Silico Studies of Some Isoflavonoids as Potential Candidates against COVID-19 Targeting Human ACE2 (hACE2) and Viral Main Protease (M(pro)) #MMPMID34068579 Alesawy MS; Abdallah AE; Taghour MS; Elkaeed EB; H Eissa I; Metwaly AM Molecules 2021[May]; 26 (9): ä PMID34068579show ga The Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) caused the "COVID-19" disease that has been declared by WHO as a global emergency. The pandemic, which emerged in China and widespread all over the world, has no specific treatment till now. The reported antiviral activities of isoflavonoids encouraged us to find out its in silico anti-SARS-CoV-2 activity. In this work, molecular docking studies were carried out to investigate the interaction of fifty-nine isoflavonoids against hACE2 and viral M(pro). Several other in silico studies including physicochemical properties, ADMET and toxicity have been preceded. The results revealed that the examined isoflavonoids bound perfectly the hACE-2 with free binding energies ranging from -24.02 to -39.33 kcal mol(-1), compared to the co-crystallized ligand (-21.39 kcal mol(-1)). Furthermore, such compounds bound the M(pro) with unique binding modes showing free binding energies ranging from -32.19 to -50.79 kcal mol(-1), comparing to the co-crystallized ligand (binding energy = -62.84 kcal mol(-1)). Compounds 33 and 56 showed the most acceptable affinities against hACE2. Compounds 30 and 53 showed the best docking results against M(pro). In silico ADMET studies suggest that most compounds possess drug-likeness properties. |*COVID-19 Drug Treatment[MESH] |*Drug Delivery Systems[MESH] |*Molecular Docking Simulation[MESH] |Angiotensin-Converting Enzyme 2/*chemistry/metabolism[MESH] |Coronavirus 3C Proteases/*chemistry/metabolism[MESH] |Humans[MESH]In Silico Studies of Some Isoflavonoids as Potential Candidates agains(epmc).pdf DeepDyve Pubget Overpricing