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10.3390/molecules26133882 http://scihub22266oqcxt.onion/10.3390/molecules26133882 34202092!8270280!34202092     free     free     free Deprecated: Implicit conversion from float 217.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 217.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 217.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 217.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 217.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 217.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Molecules 2021 ; 26 (13): ä Nephropedia Template TP {{tp|p=34202092|t=2021. Antiviral Activity of Metabolites from Peruvian Plants against SARS-CoV-2: An In Silico Approach |pdf=|usr=}}{{34202092}} gab.com Text Antiviral Activity of Metabolites from Peruvian Plants against SARS-CoV-2: An In Silico Approach JO: Molecules http://www.kidney.de/pget.php?&tw=1&pmid=34202092 #FOAvip (1) Background: The COVID-19 pandemic lacks treatments; for this reason, the search for potential compounds against therapeutic targets is still necessary. Bioinformatics tools have allowed the rapid in silico screening of possible new metabolite candidates from natural resources or repurposing known ones. Thus, in this work, we aimed to select phytochemical candidates from Peruvian plants with antiviral potential against three therapeutical targets of SARS-CoV-2. (2) Methods: We applied in silico technics, such as virtual screening, molecular docking, molecular dynamics simulation, and MM/GBSA estimation. (3) Results: Rutin, a compound present in Peruvian native plants, showed affinity against three targets of SARS-CoV-2. The molecular dynamics simulation demonstrated the high stability of receptor-ligand systems during the time of the simulation. Our results showed that the Mpro-Rutin system exhibited higher binding free energy than PLpro-Rutin and N-Rutin systems through MM/GBSA analysis. (4) Conclusions: Our study provides insight on natural metabolites from Peruvian plants with therapeutical potential. We found Rutin as a potential candidate with multiple pharmacological properties against SARS-CoV-2. Twit Text FOAVip Antiviral Activity of Metabolites from Peruvian Plants against SARS-CoV-2: An In Silico Approach ????Molecules http://www.kidney.de/pget.php?&tw=1&pmid=34202092 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34202092 #FOAvip English Wikipedia <ref>{{Cite pmid|34202092}}</ref> Antiviral Activity of Metabolites from Peruvian Plants against SARS-CoV-2: An In Silico Approach #MMPMID34202092 Goyzueta-Mamani LD; Barazorda-Ccahuana HL; Mena-Ulecia K; Chavez-Fumagalli MA Molecules 2021[Jun]; 26 (13): ä PMID34202092show ga (1) Background: The COVID-19 pandemic lacks treatments; for this reason, the search for potential compounds against therapeutic targets is still necessary. Bioinformatics tools have allowed the rapid in silico screening of possible new metabolite candidates from natural resources or repurposing known ones. Thus, in this work, we aimed to select phytochemical candidates from Peruvian plants with antiviral potential against three therapeutical targets of SARS-CoV-2. (2) Methods: We applied in silico technics, such as virtual screening, molecular docking, molecular dynamics simulation, and MM/GBSA estimation. (3) Results: Rutin, a compound present in Peruvian native plants, showed affinity against three targets of SARS-CoV-2. The molecular dynamics simulation demonstrated the high stability of receptor-ligand systems during the time of the simulation. Our results showed that the Mpro-Rutin system exhibited higher binding free energy than PLpro-Rutin and N-Rutin systems through MM/GBSA analysis. (4) Conclusions: Our study provides insight on natural metabolites from Peruvian plants with therapeutical potential. We found Rutin as a potential candidate with multiple pharmacological properties against SARS-CoV-2. |Antiviral Agents/*chemistry/*pharmacology[MESH] |Asteraceae/chemistry/metabolism[MESH] |Coronavirus 3C Proteases/antagonists & inhibitors/chemistry[MESH] |Coronavirus Nucleocapsid Proteins/antagonists & inhibitors/chemistry[MESH] |Coronavirus Papain-Like Proteases/antagonists & inhibitors/chemistry[MESH] |Databases, Factual[MESH] |Humans[MESH] |Lepidium/chemistry/metabolism[MESH] |Ligands[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |Peru[MESH] |Phosphoproteins/antagonists & inhibitors/chemistry[MESH] |Phytochemicals/*chemistry/*pharmacology[MESH] |Plants/*chemistry/*metabolism[MESH] |Rutin/chemistry/pharmacology[MESH]Antiviral Activity of Metabolites from Peruvian Plants against SARS-Co(epmc).pdf DeepDyve Pubget Overpricing