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10.1186/s13104-020-05379-6 http://scihub22266oqcxt.onion/10.1186/s13104-020-05379-6 33176880!7656897!33176880     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 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 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 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 312.4 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       BMC+Res+Notes 2020 ; 13 (1): 527 Nephropedia Template TP {{tp|p=33176880|t=2020. Pharmacophore modelling of vanillin derivatives, favipiravir, chloroquine, hydroxychloroquine, monolaurin and tetrodotoxin as M(Pro) inhibitors of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) |pdf=|usr=}}{{33176880}} gab.com Text Pharmacophore modelling of vanillin derivatives, favipiravir, chloroquine, hydroxychloroquine, monolaurin and tetrodotoxin as M(Pro) inhibitors of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) JO: BMC Res Notes http://www.kidney.de/pget.php?&tw=1&pmid=33176880 #FOAvip OBJECTIVES: The aim of this study was to use Ligand-based pharmacophore modelling approach for four established antiviral drugs, namely remdesivir, lopinavir, ritonavir and hydroxychloroquine for COVID-19 inhibitors as training sets. In this study Twenty vanillin derivatives together with monolaurin and tetrodotoxin were used as test sets to evaluate as potential SARS-CoV-2 inhibitors. The Structure-based pharmacophore modelling approach was also performed using 5RE6, 5REX and 5RFZ in order to analyse the binding site and ligand-protein complex interactions. RESULTS: The pharmacophore modelling mode of 5RE6 displayed two Hydrogen Bond Acceptors (HBA) and one Hydrophobic (HY) interaction. Besides, the pharmacophore model of 5REX showed two HBA and two HY interactions. Finally, the pharmacophore model of 5RFZ showed three HBA and one HY interaction. Based on ligand-based approach, 20 Schiff-based vanillin derivatives, showed strong M(Pro) inhibition activity. This was due to their good alignment and common features to PDB-5RE6. Similarly, monolaurin and tetrodotoxin displayed some significant activity against SARS-CoV-2. From structure-based approach, vanillin derivatives (1) to (12) displayed some potent M(Pro) inhibition against SARS-CoV-2. Favipiravir, chloroquine and hydroxychloroquine also showed some significant M(Pro) inhibition. Twit Text FOAVip Pharmacophore modelling of vanillin derivatives, favipiravir, chloroquine, hydroxychloroquine, monolaurin and tetrodotoxin as M(Pro) inhibitors of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) ????BMC Res Notes http://www.kidney.de/pget.php?&tw=1&pmid=33176880 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33176880 #FOAvip English Wikipedia <ref>{{Cite pmid|33176880}}</ref> Pharmacophore modelling of vanillin derivatives, favipiravir, chloroquine, hydroxychloroquine, monolaurin and tetrodotoxin as M(Pro) inhibitors of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) #MMPMID33176880 Law WY; Asaruddin MR; Bhawani SA; Mohamad S BMC Res Notes 2020[Nov]; 13 (1): 527 PMID33176880show ga OBJECTIVES: The aim of this study was to use Ligand-based pharmacophore modelling approach for four established antiviral drugs, namely remdesivir, lopinavir, ritonavir and hydroxychloroquine for COVID-19 inhibitors as training sets. In this study Twenty vanillin derivatives together with monolaurin and tetrodotoxin were used as test sets to evaluate as potential SARS-CoV-2 inhibitors. The Structure-based pharmacophore modelling approach was also performed using 5RE6, 5REX and 5RFZ in order to analyse the binding site and ligand-protein complex interactions. RESULTS: The pharmacophore modelling mode of 5RE6 displayed two Hydrogen Bond Acceptors (HBA) and one Hydrophobic (HY) interaction. Besides, the pharmacophore model of 5REX showed two HBA and two HY interactions. Finally, the pharmacophore model of 5RFZ showed three HBA and one HY interaction. Based on ligand-based approach, 20 Schiff-based vanillin derivatives, showed strong M(Pro) inhibition activity. This was due to their good alignment and common features to PDB-5RE6. Similarly, monolaurin and tetrodotoxin displayed some significant activity against SARS-CoV-2. From structure-based approach, vanillin derivatives (1) to (12) displayed some potent M(Pro) inhibition against SARS-CoV-2. Favipiravir, chloroquine and hydroxychloroquine also showed some significant M(Pro) inhibition. |Amides/chemistry/pharmacology[MESH] |Antiviral Agents/chemistry/*pharmacology[MESH] |Benzaldehydes/chemistry[MESH] |Betacoronavirus/*drug effects[MESH] |Chloroquine/chemistry/*pharmacology[MESH] |Computer Simulation[MESH] |Coronavirus 3C Proteases[MESH] |Cysteine Endopeptidases[MESH] |Cysteine Proteinase Inhibitors/chemistry/*pharmacology[MESH] |Humans[MESH] |Hydroxychloroquine/chemistry/pharmacology[MESH] |Laurates/chemistry/pharmacology[MESH] |Microbial Sensitivity Tests[MESH] |Models, Molecular[MESH] |Monoglycerides/chemistry/pharmacology[MESH] |Pyrazines/chemistry/pharmacology[MESH] |SARS-CoV-2[MESH] |Structure-Activity Relationship[MESH] |Tetrodotoxin/chemistry/pharmacology[MESH]Pharmacophore modelling of vanillin derivatives, favipiravir, chloroqu(epmc).pdf DeepDyve Pubget Overpricing