An integrated metabolomic and proteomic approach for the identification of covalent inhibitors of the main protease (Mpro) of SARS-COV-2 from crude natural extractsArticle Published on 2023-01-152022-11-15 Journal: Talanta [Category] SARS, 유전자 메커니즘, 치료제, [키워드] Analysis applied approach baicalein binding carried catalytic characteristic Chinese complementary complex Compound Covalent binder Cys145 database drug target electrophilic Final functional HIS163 HIS164 His41 independent inhibitor inhibitors Ion knowledge M pro M(pro) mass mass spectrometry maturation metabolomic metabolomics Michael molecular dynamics MPro nucleophilic peptide platform polyprotein protease protein-ligand Proteins proteomic proteomics residue SARS-CoV-2 SARS-CoV-2. Scutellaria baicalensis tested the SARS-CoV-2 [DOI] 10.1016/j.talanta.2022.123824 PMC 바로가기
Monkeypox outbreak 2022: What we know so far and its potential drug targets and management strategiesReview Published on 2023-01-012023-06-09 Journal: Journal of medical virology [Category] 원숭이두창, [키워드] disease management drug target Monkeypox Orthopoxvirus. [DOI] 10.1002/jmv.28306 PMC 바로가기 [Article Type] Review
Folic acid: a potential inhibitor against SARS-CoV-2 nucleocapsid protein엽산: SARS-CoV-2 뉴클레오캡시드 단백질에 대한 잠재적 억제제Article Published on 2022-12-012022-09-11 Journal: Pharmaceutical Biology [Category] COVID19(2023년), SARS, 유전자 메커니즘, 치료법, [키워드] analysed Analysis antagonist antiviral effects antivirus association cellular Chinese Chinese medicine Compound Concentration coronavirus disease Coronavirus disease 2019 COVID-19 Data analysis docking drug target experiment Folic acid Genes global pandemic Host hub genes identify inhibit inhibition inhibitor involved material mCherry mCherry expression mechanism molecular molecular docking network pharmacology Network pharmacology. Nucleocapsid phosphoprotein Phosphoprotein Protein Regulatory RNA interference RNAi SARS-CoV-2 SARS-CoV-2 N SARS-CoV-2 nucleocapsid screened shown target targets therapeutic target Traditional Traditional Chinese medicine virus [DOI] 10.1080/13880209.2022.2063341 PMC 바로가기 [Article Type] Article
3D Ex vivo tissue platforms to investigate the early phases of influenza a virus- and SARS-CoV-2-induced respiratory diseasesArticle Published on 2022-12-012022-11-15 Journal: Emerging Microbes & Infections [Category] COVID19(2023년), SARS, 신약개발, 진단, 치료제, [키워드] animal model animal models Antiviral Cell Cell culture comparable consequence Drug repurposing drug target early phase Ex vivo ex vivo infection Ex vivo infection model Health Host human lung IAV in vitro Infection Inflammatory cytokine Influenza influenza A virus Influenza virus Innate immunity innate immunity. interferon interferon response Intervention introduced lung tissue morbidity and mortality murine outbreak pathophysiological pharmacological platform Respiratory disease respiratory viruses responses SARS-CoV-2 therapy tissue Treatment viral infection viral life cycle viral replication virus virus while [DOI] 10.1080/22221751.2022.2117101 PMC 바로가기
Genomic variants-driven drug repurposing for tuberculosis by utilizing the established bioinformatic-based approachShort communication Published on 2022-12-012022-10-05 Journal: Biochemistry and Biophysics Reports [Category] 신약개발, [키워드] annotations applied approach bioinformatics biological process CCR5 CD44 cellular component contribute CXCR4 demonstrated deregulation disease disease-associated drug Drug discovery Drug repurposing drug target evaluated Evidence facilitate functional functional annotation Genes genomic genomic variant genomic variants GWAS HLA-B identify implementation in-silico indication involved KEGG Missense mutation molecular overlapped Pathogenesis Pathway analysis provided risk SELP suggested target Treatment Tuberculosis variant [DOI] 10.1016/j.bbrep.2022.101334 [Article Type] Short communication
Kinetics of Drug Molecule Interactions with a Newly Developed Nano-Gold-Modified Spike Protein Electrochemical Receptor SensorArticle Published on 2022-10-172022-11-15 Journal: Biosensors [Category] COVID19(2023년), SARS, 치료기술, 치료제, [키워드] amplification antiviral drug Chloroquine compounds Concentration correlated COVID-19 Detection sensitivity Developed docking drug drug target drugs electrochemical receptor biosensor exhibit Gln group Hydrogen bond Hydroxychloroquine Interaction investigated kinetic Kinetics limit of detection linear linkage allosterism molecule pandemic Protein provide receptor reported Research residue SARS-CoV-2 sensor Seven spike Spike protein spike protein. the SARS-CoV-2 the spike protein Treatment was used WHO World Health Organization [DOI] 10.3390/bios12100888 PMC 바로가기
Identification of doxorubicin as a potential therapeutic against SARS-CoV-2 (COVID-19) protease: a molecular docking and dynamics simulation studiesArticle Published on 2022-10-012022-11-16 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), SARS, 신약개발, [키워드] 6LU7 amino acid residue Analysis analyzed Antibiotics Antiviral antiviral drugs AutoDock binding energy caused complex complexes conducted COVID-19 COVID-19 disease COVID-19 pandemic docking Doxorubicin drug drug target host cell identification in silico in viral inhibit Interaction lowest MDs molecular docking Molecular dynamics simulation Prevent protease Protease inhibitor protease inhibitor. remained Replication residue RMSD RMSF SARS-CoV-2 Scientific community Simulation study stability suggested therapeutic virus [DOI] 10.1080/07391102.2021.1905551 PMC 바로가기
Biophysical Modeling of SARS-CoV-2 Assembly: Genome Condensation and BuddingArticle Published on 2022-09-202022-11-16 Journal: Viruses [Category] SARS, 유전자 메커니즘, [키워드] assembly budding caused cellular condensation coronavirus 2 COVID-19 pandemic curtail de novo develop drug target envelope Genome genome condensation genomic RNA host cell identify Infectious virus Interaction intrinsic M protein mechanism membranes modeling molecular Mutation N protein oligomerization pathogen Protein protein intrinsic curvature. Research respiratory responsible resulting RNA SARS-CoV-2 spike structural protein structural proteins the S protein therapeutic target therapy Vaccines viral entry viral life cycle viral particle virus while [DOI] 10.3390/v14102089 PMC 바로가기
IFI44 is an immune evasion biomarker for SARS-CoV-2 and Staphylococcus aureus infection in patients with RAArticle Published on 2022-09-152022-11-15 Journal: Frontiers in Immunology [Category] SARS, 바이오마커, 유전자 메커니즘, [키워드] 1,25-dihydroxy vitamin D3 activated acute respiratory syndrome analyses Analysis applied autoimmune conditions Bacteremia Bacterial Bacterial infection Bacterial infections Bioinformatics analysis Biomarker caused Cell cell membrane CIBERSORT conducted coronavirus COVID-19 Cytoscape database dataset datasets DEGs dendritic cell dendritic cells dendritic cells. differentially expressed differentially expressed gene disease DNA drug target Effectiveness examined expression FIVE functional enrichment Functional enrichment analysis GBP1 gene network GeneMANIA Genes global pandemic HERC5 humans identify Ifi44 IFI44L IFIT3 IFIT5 IFN signaling IFN signaling pathway IFN-α/β Immune cell infiltration immune cells Immune escape immune evasion immune system Immunological response Infection infections infiltration Intersection ISG15 KEGG mechanism miRNA molecular mechanism molecular target NLR OAS1 oxidative phosphorylation pathogenic bacteria pathway Patient platform positive correlation PPI network prevalent proliferation promote regulate Regulation Rheumatoid rheumatoid arthritis risk factor ROC curves RSAD2 Rtp4 SARS-CoV-2 SARS-COV-2 infection severe coronavirus disease signaling pathway Staphylococcus Staphylococcus aureus target the SARS-CoV-2 therapeutic viral infection viral replication virus were used YY1 [DOI] 10.3389/fimmu.2022.1013322 PMC 바로가기
Allosteric Hotspots in the Main Protease of SARS-CoV-2SARS-CoV-2의 주요 단백질 분해효소의 알로스테릭 핫스팟Article Published on 2022-09-152022-09-11 Journal: Journal of Molecular Biology [Category] 치료제, [키워드] allosteric site prediction Analysis atomistic graph representation binding site bond candidate catalytic caused COVID-19 pandemic data set drug candidate drug candidates drug target effort enzyme graph theory. highest identify inhibiting knowledge Markov MOST pathway protease Protein random SARS-CoV-2 statistical statistically significant virus [DOI] 10.1016/j.jmb.2022.167748 PMC 바로가기 [Article Type] Article