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10.1016/j.lfs.2020.118169 http://scihub22266oqcxt.onion/10.1016/j.lfs.2020.118169 32738360!7387922!32738360     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 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Life+Sci 2020 ; 259 (ä): 118169 Nephropedia Template TP {{tp|p=32738360|t=2020. Computational guided drug repurposing for targeting 2 -O-ribose methyltransferase of SARS-CoV-2 |pdf=|usr=}}{{32738360}} gab.com Text Computational guided drug repurposing for targeting 2 -O-ribose methyltransferase of SARS-CoV-2 JO: Life Sci http://www.kidney.de/pget.php?&tw=1&pmid=32738360 #FOAvip AIMS: The recent outbreak of pandemic severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has led the world towards a global health emergency. Currently, no proper medicine or effective treatment strategies are available; therefore, repurposing of FDA approved drugs may play an important role in overcoming the situation. MATERIALS AND METHODS: The SARS-CoV-2 genome encodes for 2-O-methyltransferase (2'OMTase), which plays a key role in methylation of viral RNA for evading host immune system. In the present study, the protein sequence of 2'OMTase of SARS-CoV-2 was analyzed, and its structure was modeled by a comparative modeling approach and validated. The library of 3000 drugs was screened against the active site of 2'OMTase followed by re-docking analysis. The apo and ligand-bound 2'OMTase were further validated and analyzed by using molecular dynamics simulation. KEY FINDINGS: The modeled structure displayed the conserved characteristic fold of class I MTase family. The quality assessment analysis by SAVES server reveals that the modeled structure follows protein folding rules and of excellent quality. The docking analysis displayed that the active site of 2'OMTase accommodates an array of drugs, which includes alkaloids, antivirals, cardiac glycosides, anticancer, steroids, and other drugs. The redocking and MD simulation analysis of the best 5 FDA approved drugs reveals that these drugs form a stable conformation with the 2'OMTase. SIGNIFICANCE: The results suggested that these drugs may be used as potential inhibitors for 2'OMTase for combating the SARS-CoV-2 infection. Twit Text FOAVip Computational guided drug repurposing for targeting 2 -O-ribose methyltransferase of SARS-CoV-2 ????Life Sci http://www.kidney.de/pget.php?&tw=1&pmid=32738360 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32738360 #FOAvip English Wikipedia <ref>{{Cite pmid|32738360}}</ref> Computational guided drug repurposing for targeting 2 -O-ribose methyltransferase of SARS-CoV-2 #MMPMID32738360 Sharma K; Morla S; Goyal A; Kumar S Life Sci 2020[Oct]; 259 (ä): 118169 PMID32738360show ga AIMS: The recent outbreak of pandemic severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has led the world towards a global health emergency. Currently, no proper medicine or effective treatment strategies are available; therefore, repurposing of FDA approved drugs may play an important role in overcoming the situation. MATERIALS AND METHODS: The SARS-CoV-2 genome encodes for 2-O-methyltransferase (2'OMTase), which plays a key role in methylation of viral RNA for evading host immune system. In the present study, the protein sequence of 2'OMTase of SARS-CoV-2 was analyzed, and its structure was modeled by a comparative modeling approach and validated. The library of 3000 drugs was screened against the active site of 2'OMTase followed by re-docking analysis. The apo and ligand-bound 2'OMTase were further validated and analyzed by using molecular dynamics simulation. KEY FINDINGS: The modeled structure displayed the conserved characteristic fold of class I MTase family. The quality assessment analysis by SAVES server reveals that the modeled structure follows protein folding rules and of excellent quality. The docking analysis displayed that the active site of 2'OMTase accommodates an array of drugs, which includes alkaloids, antivirals, cardiac glycosides, anticancer, steroids, and other drugs. The redocking and MD simulation analysis of the best 5 FDA approved drugs reveals that these drugs form a stable conformation with the 2'OMTase. SIGNIFICANCE: The results suggested that these drugs may be used as potential inhibitors for 2'OMTase for combating the SARS-CoV-2 infection. |Antiviral Agents/chemistry/pharmacology[MESH] |Betacoronavirus/*drug effects/*enzymology[MESH] |COVID-19[MESH] |Computational Biology/methods[MESH] |Coronavirus Infections/*drug therapy/virology[MESH] |Drug Repositioning/methods[MESH] |Enzyme Inhibitors/chemistry/pharmacology[MESH] |Humans[MESH] |Methylation/drug effects[MESH] |Methyltransferases/*antagonists & inhibitors/chemistry/metabolism/ultrastructure[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |Molecular Targeted Therapy[MESH] |Pandemics[MESH] |Pneumonia, Viral/*drug therapy/virology[MESH] |SARS-CoV-2[MESH]Computational guided drug repurposing for targeting 2 -O-ribose methyl(epmc).pdf DeepDyve Pubget Overpricing