Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferaseSARS-CoV-2 표적화: 3C-유사 프로테이나제 및 2'-O-리보스 메틸트랜스퍼라제에 대한 유망한 억제제를 식별하기 위한 체계적인 약물 용도 변경 접근법Article Published on 2021-05-012022-08-31 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 신약개발, [키워드] 2′-O-ribose methyltransferase 3C-like proteinase 3CLpro active site antiviral drugs approach bictegravir binding candidate computational analysis contagious Coronaviridae family cysteine cysteine protease docking dolutegravir drug Drug repurposing drug target free energy functional host immune system house identify imperative inhibitor interacting residues lead life cycle MD simulation methyltransferase mRNA nucleotide number of infected Orientation pandemic parameter paritaprevir physiological state Protein protein-drug complex protein-drug complexes proteinase Proteins proteolysis raltegravir replicase polyprotein replicase polyproteins responsible resulting ribose SARS-CoV-2 screened selected targeting targets the Coronaviridae therapeutic drug Viral viral life cycle Virtual screening virus [DOI] 10.1080/07391102.2020.1753577 PMC 바로가기 [Article Type] Article
Label-Free Screening of SARS-CoV-2 NSP14 Exonuclease Activity Using SAMDI Mass SpectrometryArticle Published on 2021-04-172022-10-29 Journal: SLAS discovery : advancing life sciences R & D [Category] COVID-19, MERS, SARS, [키워드] accelerate activity acute respiratory syndrome antiviral target Combination condition coronavirus COVID-19 COVID-19 pandemic Critical described Drug discovery effort enzyme activity exonuclease feature guanine implicated inhibitors Initiating Label-free lack mass mass spectrometry mechanism methodology methyltransferase monolayer nsp14 Nuclease Pathologies Protein responsible RNA robust SARS-CoV-2 SARS-CoV-2 replication Screening small molecule specificity Spectrometry virus was used [DOI] 10.1177/24725552211008854 PMC 바로가기 [Article Type] Article
Development of a High-Throughput Screening Assay to Identify Inhibitors of the SARS-CoV-2 Guanine-N7-Methyltransferase Using RapidFire Mass SpectrometryArticle Published on 2021-03-162022-10-29 Journal: SLAS discovery : advancing life sciences R & D [Category] COVID-19, SARS, [키워드] activity acute respiratory syndrome Analysis Antiviral conserved coronavirus Coronavirus-2 Coronaviruses COVID-19 COVID-19 infection develop development drug drugs Efficiency enzyme evade exonuclease food Formation Health help Host in viral inhibitor mass methyltransferase nsp14 Outbreaks Protein Replication responsible SARS-CoV SARS-CoV-2 Screening selective shown similarity specific treatment Spectrometry starting point the SARS-CoV-2 therapy translation viral genome Viral RNA [DOI] 10.1177/24725552211000652 PMC 바로가기 [Article Type] Article
SARS-CoV-2 Infection-Induced Promoter Hypomethylation as an Epigenetic Modulator of Heat Shock Protein A1L (HSPA1L) GeneGenetics Published on 2021-02-192022-10-31 Journal: Frontiers in Genetics [Category] COVID-19, [키워드] A549 affecting Antiviral Asymptomatic Autopsy bioinformatics blood sample candidate gene changes in COVID-19 COVID-19 infection CpG described differentially expressed gene DNA DNA methylation DNMT1 DNMT3B downregulated Effect Epigenetic expression facilitate Genetic variation genomic healthy controls heat Host HSPA1L identify immune cells in silico in vitro model island lung lung epithelial cell Lung epithelial cells Methylation methyltransferase modulator mRNA expression NHBE Numerous promoter promoter region Prophylaxis regulated Regulation SARS-CoV-2 SARS-COV-2 infection severe COVID-19 severe COVID-19 patient significantly transcriptomic data Treatment ULBP2 upregulated upregulated genes viral replication was increased were used whole blood sample [DOI] 10.3389/fgene.2021.622271 PMC 바로가기 [Article Type] Genetics
Mapping major SARS-CoV-2 drug targets and assessment of druggability using computational fragment screening: Identification of an allosteric small-molecule binding site on the Nsp13 helicase전산 단편 스크리닝을 사용한 주요 SARS-CoV-2 약물 표적 매핑 및 약물 가능성 평가: Nsp13 헬리카제의 알로스테릭 소분자 결합 부위 식별Research Article Published on 2021-02-172022-09-10 Journal: PLoS ONE [Category] MERS, 신약개발, 치료제, [키워드] accelerate acting Antiviral benzene binding binding domain binding site calculated complex conformation conformational state conformational states drug target effective Efficiency effort FIVE free energy Free energy calculation Free energy calculations functional Helicase identification identify Impact information life Ligand ligand binding site mapping mechanism methyltransferase N-terminal Nsp12 nsp13 Protein protein-protein interaction recent replication-transcription complex RNA-dependent RNA polymerase S2 subunit SARS-CoV-2 SARS-CoV-2 drug small molecule Society solvent spike Spike protein Structural analysis target target protein the Spike was used Zinc [DOI] 10.1371/journal.pone.0246181 PMC 바로가기 [Article Type] Research Article
Targeting NSP16 Methyltransferase for the Broad-Spectrum Clinical Management of Coronaviruses: Managing the Next PandemicEditorial Published on 2021-02-012022-11-01 Journal: Diseases [Category] COVID-19, [키워드] approach approval breadth clinical conserved coronavirus Coronaviruses COVID-19 COVID-19 pandemic COVID-19 vaccine develop distribution Efficacy Genome managing methyltransferase mRNA capping Occurrence outbreak pandemic Pathogens profiles Protein Safe targeting therapeutic potential viral pathogens Viral protein viruses while zoonotic [DOI] 10.3390/diseases9010012 PMC 바로가기 [Article Type] Editorial
Bioactivity Potential of Marine Natural Products from Scleractinia-Associated Microbes and In Silico Anti-SARS-COV-2 EvaluationScleractinia 관련 미생물 및 In Silico Anti-SARS-COV-2 평가에서 해양 천연 제품의 생물학적 활성 가능성Review Published on 2020-12-162022-09-10 Journal: Marine Drugs [Category] SARS, 치료제, [키워드] (RdRp activity ADME ADME analysis Analysis Bacteria biological activity Cancer Compound compounds Coverage determine Diseases drug filtered fungi hierarchy Inflammation investigated leads malaria marine bacteria marine fungi marine natural products methyltransferase microbe molecular docking molecular docking studies natural organism Organisms Physicochemical properties Potential producing product RdRP Research responsible RNA dependent RNA polymerase RNA polymerase RNA-dependent RNA polymerase SAR SARS-CoV-2 SARS-CoV-2 RNA Scleractinia Secondary Metabolite secondary metabolites selected structure activity relationship target these compound Viral diseases zooxanthellae [DOI] 10.3390/md18120645 PMC 바로가기 [Article Type] Review
Computational Investigation of Structural Dynamics of SARS-CoV-2 Methyltransferase-Stimulatory Factor Heterodimer nsp16/nsp10 Bound to the Cofactor SAMMolecular Biosciences Published on 2020-11-242022-10-31 Journal: Frontiers in Molecular Biosciences [Category] COVID-19, [키워드] absence antiviral drug approved Area association binding binding mechanism Bound CAS caused characterized conformational contagious contribute coronavirus COVID-19 CoVs Dynamics electrostatic interaction ENCODE enzyme eukaryotic Factor highlight hotspot Hydrogen bond hydrophobic interaction identify identifying increase interactions investigated investigation Mechanics mechanism methyltransferase MM-PBSA MM/PBSA molecular dynamics Molecular dynamics simulation mRNA Mutagenesis mutants novel coronavirus disease Nsp16/nsp10 PCA Peptide inhibitor protein translation provide public health RNA stability S-adenosyl-L-methionine SAM SARS-CoV-2 scanning surface therapeutic agents thermodynamic Vaccine van der Waal virus was performed [DOI] 10.3389/fmolb.2020.590165 PMC 바로가기 [Article Type] Molecular Biosciences
1 H, 13 C, and 15 N backbone chemical shift assignments of coronavirus-2 non-structural protein Nsp10Article Published on 2020-11-072022-10-27 Journal: Biomolecular Nmr Assignments [Category] COVID-19, [키워드] backbone Coronavirus-2 COVID19-NMR drugs element ENCODE function genomic in viral innate immune system Interaction International involved Ligand methyltransferase molecular component NMR non-structural protein nsp14 Nsps PROTECT Protein Proteins Replication replication-transcription complex RNA RNA genome RNA-dependent RNA polymerase RTC SARS-CoV-2 SARS-CoV-2 genome SARS-CoV-2 RNA Solution NMR-spectroscopy structural proteins Structure subgenomic RNAs transcriptional variety Via viral envelope viral life cycle Viral RNA virus [DOI] 10.1007/s12104-020-09984-1 PMC 바로가기 [Article Type] Article
1 H, 13 C, and 15 N backbone chemical shift assignments of coronavirus-2 non-structural protein Nsp10Article Published on 2020-11-072022-10-27 Journal: Biomolecular Nmr Assignments [Category] Coronavirus, COVID-19, SARS, [키워드] backbone Coronavirus-2 COVID19-NMR drugs element ENCODE function genomic in viral innate immune system Interaction International involved Ligand methyltransferase molecular component NMR non-structural protein nsp14 Nsps PROTECT Protein Proteins Replication replication-transcription complex RNA RNA genome RNA-dependent RNA polymerase RTC SARS-CoV-2 SARS-CoV-2 genome SARS-CoV-2 RNA Solution NMR-spectroscopy structural proteins Structure subgenomic RNAs transcriptional variety Via viral envelope viral life cycle Viral RNA virus [DOI] 10.1007/s12104-020-09984-1 PMC 바로가기 [Article Type] Article