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10.1007/s12539-020-00381-9 http://scihub22266oqcxt.onion/10.1007/s12539-020-00381-9 C7332347!7332347 !32617855     free     free     free Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=32617855 &cmd=llinks): Failed to open stream: HTTP request failed! 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Phylogenetic Analysis and Structural Perspectives of RNA-Dependent RNA-Polymerase Inhibition from SARs-CoV-2 with Natural Products |pdf=|usr=}}{{32617855 }} gab.com Text Phylogenetic Analysis and Structural Perspectives of RNA-Dependent RNA-Polymerase Inhibition from SARs-CoV-2 with Natural Products JO: Interdiscip Sci http://www.kidney.de/pget.php?&tw=1&pmid=32617855 #FOAvip Most recently, an outbreak of severe pneumonia caused by the infection of SARS-CoV-2, a novel coronavirus first identified in Wuhan, China, imposes serious threats to public health. Upon infecting host cells, coronaviruses assemble a multi-subunit RNA-synthesis complex of viral non-structural proteins (nsp) responsible for the replication and transcription of the viral genome. Therefore, the role and inhibition of nsp12 are indispensable. A cryo-EM structure of RdRp from SARs-CoV-2 was used to identify novel drugs from Northern South African medicinal compounds database (NANPDB) by using computational virtual screening and molecular docking approaches. Considering Remdesivir as the control, 42 compounds were shortlisted to have docking score better than Remdesivir. The top 5 hits were validated by using molecular dynamics simulation approach and free energy calculations possess strong inhibitory properties than the Remdesivir. Thus, this study paved a way for designing novel drugs by decoding the architecture of an important enzyme and its inhibition with compounds from natural resources. This disclosing of necessary knowledge regarding the screening and the identification of top hits could help to design effective therapeutic candidates against the coronaviruses and design robust preventive measurements. Twit Text FOAVip Phylogenetic Analysis and Structural Perspectives of RNA-Dependent RNA-Polymerase Inhibition from SARs-CoV-2 with Natural Products ????Interdiscip Sci http://www.kidney.de/pget.php?&tw=1&pmid=32617855 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32617855 #FOAvip English Wikipedia <ref>{{Cite pmid|32617855 }}</ref> Phylogenetic Analysis and Structural Perspectives of RNA-Dependent RNA-Polymerase Inhibition from SARs-CoV-2 with Natural Products #MMPMID32617855 Khan A ; Khan M ; Saleem S ; Babar Z ; Ali A ; Khan AA ; Sardar Z ; Hamayun F ; Ali SS ; Wei DQ Interdiscip Sci 2020[Sep]; 12 (3 ): 335-348 PMID32617855 show ga Most recently, an outbreak of severe pneumonia caused by the infection of SARS-CoV-2, a novel coronavirus first identified in Wuhan, China, imposes serious threats to public health. Upon infecting host cells, coronaviruses assemble a multi-subunit RNA-synthesis complex of viral non-structural proteins (nsp) responsible for the replication and transcription of the viral genome. Therefore, the role and inhibition of nsp12 are indispensable. A cryo-EM structure of RdRp from SARs-CoV-2 was used to identify novel drugs from Northern South African medicinal compounds database (NANPDB) by using computational virtual screening and molecular docking approaches. Considering Remdesivir as the control, 42 compounds were shortlisted to have docking score better than Remdesivir. The top 5 hits were validated by using molecular dynamics simulation approach and free energy calculations possess strong inhibitory properties than the Remdesivir. Thus, this study paved a way for designing novel drugs by decoding the architecture of an important enzyme and its inhibition with compounds from natural resources. This disclosing of necessary knowledge regarding the screening and the identification of top hits could help to design effective therapeutic candidates against the coronaviruses and design robust preventive measurements. |Adenosine Monophosphate/analogs & derivatives/chemistry/pharmacology [MESH] |Alanine/analogs & derivatives/chemistry/pharmacology [MESH] |Antiviral Agents/chemistry/*pharmacology [MESH] |Betacoronavirus/*drug effects/*enzymology/genetics [MESH] |Biological Products/chemistry/*pharmacology [MESH] |COVID-19 [MESH] |Catalytic Domain/genetics [MESH] |Computer Simulation [MESH] |Coronavirus Infections/epidemiology/*virology [MESH] |Coronavirus RNA-Dependent RNA Polymerase [MESH] |Databases, Pharmaceutical [MESH] |Drug Evaluation, Preclinical [MESH] |Genome, Viral [MESH] |Host Microbial Interactions/drug effects [MESH] |Humans [MESH] |Ligands [MESH] |Molecular Docking Simulation [MESH] |Pandemics [MESH] |Phylogeny [MESH] |Pneumonia, Viral/epidemiology/*virology [MESH] |RNA-Dependent RNA Polymerase/*antagonists & inhibitors/chemistry/genetics [MESH] |SARS-CoV-2 [MESH]Phylogenetic Analysis and Structural Perspectives of RNA-Dependent RNA(epmc).pdf DeepDyve Pubget Overpricing