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10.1016/j.imu.2021.100645 http://scihub22266oqcxt.onion/10.1016/j.imu.2021.100645 34189252!8223117!34189252     free     free     free Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=34189252&cmd=llinks): Failed to open stream: HTTP request failed! 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In silico study of medicinal plants with cyclodextrin inclusion complex as the potential inhibitors against SARS-CoV-2 main protease (M(pro)) and spike (S) receptor |pdf=|usr=}}{{34189252}} gab.com Text In silico study of medicinal plants with cyclodextrin inclusion complex as the potential inhibitors against SARS-CoV-2 main protease (M(pro)) and spike (S) receptor JO: Inform Med Unlocked http://www.kidney.de/pget.php?&tw=1&pmid=34189252 #FOAvip The current outbreak of novel coronavirus disease (COVID-19) causes an alarming number of deaths in 221 countries around the world. Nowadays, there is no specific and effective drug regimen for curing COVID-19. Since the COVID-19 pandemic, several medicinal plants with promising results in the previous SARS-CoV could be used to treat SARS-CoV-2 infected patients. This work assesses proven medicinal plants as potential inhibitors against SARS-CoV-2 main protease (Mpro) and spike (S) receptors by employing in silico methods. Molecular docking studies and 3D structure-based pharmacophore modeling were performed to identify the molecular interactions of potential active molecules with the Mpro and (S) receptor of SARS-CoV-2. The drug-likeness and ADME properties were also predicted to support the drug-like nature of the selected active molecules. The results indicated that the most favorable ligand was Terrestriamide with (DeltaG: horizontal line 8.70 kcal/mol; Ki: 0.417 muM) and (DeltaG: horizontal line 7.02 kcal/mol; Ki: 7.21 muM) for Mpro and (S) receptor, respectively. Terrestriamide is also supported with a high drug-likeness value and appropriate ADME profile. Furthermore, to improve drug delivery, the cyclodextrin inclusion complex was calculated based on semi-empirical quantum mechanical methods. Terrestriamide/gamma-cyclodextrin is the most favorable pathway of inclusion complex formation and could be used to treat COVID-19. Twit Text FOAVip In silico study of medicinal plants with cyclodextrin inclusion complex as the potential inhibitors against SARS-CoV-2 main protease (M(pro)) and spike (S) receptor ????Inform Med Unlocked http://www.kidney.de/pget.php?&tw=1&pmid=34189252 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34189252 #FOAvip English Wikipedia <ref>{{Cite pmid|34189252}}</ref> In silico study of medicinal plants with cyclodextrin inclusion complex as the potential inhibitors against SARS-CoV-2 main protease (M(pro)) and spike (S) receptor #MMPMID34189252 Dermawan D; Prabowo BA; Rakhmadina CA Inform Med Unlocked 2021[]; 25 (ä): 100645 PMID34189252show ga The current outbreak of novel coronavirus disease (COVID-19) causes an alarming number of deaths in 221 countries around the world. Nowadays, there is no specific and effective drug regimen for curing COVID-19. Since the COVID-19 pandemic, several medicinal plants with promising results in the previous SARS-CoV could be used to treat SARS-CoV-2 infected patients. This work assesses proven medicinal plants as potential inhibitors against SARS-CoV-2 main protease (Mpro) and spike (S) receptors by employing in silico methods. Molecular docking studies and 3D structure-based pharmacophore modeling were performed to identify the molecular interactions of potential active molecules with the Mpro and (S) receptor of SARS-CoV-2. The drug-likeness and ADME properties were also predicted to support the drug-like nature of the selected active molecules. The results indicated that the most favorable ligand was Terrestriamide with (DeltaG: horizontal line 8.70 kcal/mol; Ki: 0.417 muM) and (DeltaG: horizontal line 7.02 kcal/mol; Ki: 7.21 muM) for Mpro and (S) receptor, respectively. Terrestriamide is also supported with a high drug-likeness value and appropriate ADME profile. Furthermore, to improve drug delivery, the cyclodextrin inclusion complex was calculated based on semi-empirical quantum mechanical methods. Terrestriamide/gamma-cyclodextrin is the most favorable pathway of inclusion complex formation and could be used to treat COVID-19. äIn silico study of medicinal plants with cyclodextrin inclusion comple(epmc).pdf DeepDyve Pubget Overpricing