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
Selenium to selenoproteins – role in COVID-19Review Article Published on 2021-04-162022-10-31 Journal: EXCLI Journal [Category] COVID-19, [키워드] Activation acute respiratory syndrome antioxidant caused combating computational analysis computational tool COVID 19 COVID-19 Defense demonstrated enzyme Genome hepatitis C virus HIV-1 identification Inflammation inhibit inhibiting Japanese encephalitis macrophages mechanism modulate NF-κB oxidative burst oxidative stress Pathogenesis pathogenicity Potential produced responses ROS SARS-CoV infection Selenium selenoprotein Selenoproteins T cell proliferation transcriptional type I interferon viral genome viral infections virally encoded selenoproteins virus [DOI] 10.17179/excli2021-3530 PMC 바로가기 [Article Type] Review Article
A Retrospective Analysis of the COVID-19 Pandemic Evolution in ItalyArticle Published on 2021-04-082022-10-28 Journal: Biology [Category] COVID-19, [키워드] adopted Analysis caused Characteristics circulation collected data computational analysis Computational models contribute COVID-19 COVID-19 outbreak COVID-19 pandemic Daily defined develop Disease prevention Efficacy Epidemic Epidemics epidemiological Evolution Extinct feature Healed Health policy Hospitalization IMPROVE infecting Infection Italian Italy killing lockdowns Mutation new coronavirus SARS-CoV-2 outbreak pandemic parameters performed reported Respiratory disease resulting retrospective Retrospective analysis SARS-CoV-2 SIDARTHE model simple Spread Support the epidemic the timing trajectory vaccination viral dynamics virus spread [DOI] 10.3390/biology10040311 PMC 바로가기 [Article Type] Article
Drug designing against NSP15 of SARS-COV2 via high throughput computational screening and structural dynamics approach고 처리량 컴퓨터 스크리닝 및 구조 역학 접근을 통한 SARS-COV2의 NSP15에 대한 약물 설계Article Published on 2021-02-052022-09-11 Journal: European journal of pharmacology [Category] SARS, 신약개발, 치료제, [키워드] (lopinavir (ritonavir) addition approach best binding binding affinity butanamide complement Compound computational analysis contribute COVID-19 Critical dataset dihydrofuran-2(3H)-one drug drug candidate effective endonuclease ethyl explicit Favipiravir feature generate High Throughput Screening host immune system identify Interference lead Lopinavir molecular dynamics molecular dynamics simulations Nsp15 oseltamivir outbreak pandemic pharmacophore potential therapeutic target Protein pyrazine Replication Ritonavir rule SARS-CoV2 screened selected selective small molecule therapeutic training set Treatment unique virulence was selected [DOI] 10.1016/j.ejphar.2020.173779 PMC 바로가기 [Article Type] Article
Structural and functional comparison of SARS-CoV-2-spike receptor binding domain produced in Pichia pastoris and mammalian cellsArticle Published on 2020-12-112022-10-29 Journal: Scientific Reports [Category] COVID-19, SARS, [키워드] acute respiratory syndrome computational analysis Coronavirus-2 expressed functional glycans Glycoproteins HEK-293T cells heterogeneity immunization indicated ionic interaction mammalian cell Neutralizing antibodies Pichia pastoris produced Protein Proteins RBD Receptor binding domain reduced SARS-CoV-2 serological test spike stability variant was increased yeast [DOI] 10.1038/s41598-020-78711-6 PMC 바로가기 [Article Type] Article
Molecular docking and simulation investigation: effect of beta-sesquiphellandrene with ionic integration on SARS-CoV2 and SFTS virusesResearch Published on 2020-11-272022-10-30 Journal: Journal of Genetic Engineering & Biotechnology [Category] COVID-19, [키워드] ADME Analysis Beta-sesquiphellandrene binding pocket can be used caused complex computational analysis computational tool COVID-19 docked complex docking domain Drug discovery effective Fever glycoprotein in silico in silico Approach inhibitory effect Interaction lab membrane molecular docking pathogen polyprotein provide Result reveal RMSD RMSF SARS-CoV2 SFTS Simulation Spike protein syndrome the disease therapeutic Treatment viral disease virus viruses were used [DOI] 10.1186/s43141-020-00095-x PMC 바로가기 [Article Type] Research
In silico and in vitro studies reveal complement system drives coagulation cascade in SARS-CoV-2 pathogenesisResearch Article Published on 2020-11-112022-10-31 Journal: Computational and Structural Biotechnology Journal [Category] COVID-19, [키워드] Abstract AKT1 Analysis approach ARDS Cancer candidate cascades Cell changes Coagulation coagulation cascade complement Complication computational analysis COVID-19 Critical Critical case Cytokines storm degranulation degree downstream driver expression Fold change Gene ontology globe host proteins Huh7 IFN-I in silico in vitro in vitro study include Infection inhibit intravascular coagulation IRAK1 IRF3 IRF7 ISG ITGAM KEGG pathway analysis knowledge lack MAPK signaling MAPK1 MAPK1/MAPK3 MAPK3 MAVS mechanism medical intervention mitigate MOST neutrophil degranulation overlap pathway Pathways PD-L1 platelet activation predicted Protein proteomic public health emergency receptor signaling Regulatory SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 pathogenesis severe COVID-19 patients Signaling signaling pathway similarity Spread SRC STOM therapeutic targeting thrombosis thrombotic TNF TP53 Traf6 Transcriptome up-regulated VAMP8 viral infection viral pathogenesis [DOI] 10.1016/j.csbj.2020.11.005 PMC 바로가기 [Article Type] Research Article
Epitope-Based Immunoinformatics Approach on Nucleocapsid Protein of Severe Acute Respiratory Syndrome-Coronavirus-2Article Published on 2020-11-022022-10-30 Journal: Molecules [Category] COVID-19, SARS, [키워드] analyzed Antigen attribute B-cell bioinformatics caused computational analysis coronavirus COVID-19 COVID-2019 epitope Fatality rate global pandemic greater Health histocompatibility complex HLA host immune responses immunogenic immunoinformatics Infectious disease interfere leukocyte MHC MHC class I molecular docking analysis N protein nucleocapsid nucleocapsid protein peptide Phylogenetic analysis positive predicted progression Protein provide respiratory responsible SARS-CoV-2 sequence T-cell the disease Vaccine vaccine candidates Vaccine design viral replication WHO World Health Organization [DOI] 10.3390/molecules25215088 PMC 바로가기 [Article Type] Article
Computer-aided drug design against spike glycoprotein of SARS-CoV-2 to aid COVID-19 treatmentResearch article Published on 2020-10-152022-10-05 Journal: Heliyon [Category] 신약개발, [키워드] 3D structure ACE2 aligned angiotensin Anti-viral drugs approach AutoDock bioinformatics Cambridge Cell cell entry Compound computational analysis computer-aided drug design conducted conserved COVID-19 COVID-19 infection criteria database docking drug Drug binding drug design drugs eight FIVE glycoprotein GRP78 host receptor immunology in silico in silico analysis Infectious disease interact interacting residue Interaction involved Lead compounds motif NCBI predicted Prevent RBD RBM RBM region receptor Receptor binding domain residue Result retrieved Safe SARS-CoV-2 screened sequence spike glycoprotein the Spike Toxicity Treatment viral entry Viral protein Virology Virtual screening viruses was performed was used [DOI] 10.1016/j.heliyon.2020.e05278 [Article Type] Research article
SARS-CoV infection crosstalk with human host cell noncoding-RNA machinery: An in-silico approach인간 숙주 세포 noncoding-RNA 기계와 SARS-CoV 감염 누화: 인-실리코 접근Article Published on 2020-10-012022-09-11 Journal: Biomedicine & pharmacotherapy = Biomédecine & phar [Category] Coronavirus, SARS, 유전자 메커니즘, [키워드] antiviral defense mechanism antiviral drug antiviral drugs approach Bioinformatics analysis caused Cell computational analysis coronavirus CoV infection COVID-19 defense mechanisms defined develop drug Efficacy engage Gene Expression Genome globe host cells human disease human host human host cell human host cells humans in-silico Infection Interaction investigated involved lncRNA Long MicroRNAs miRNA miRNAs mortality rate noncoding RNA Noncoding RNA, miRNA, lncRNA Noncoding RNAs Novel coronavirus outbreak Pathogenesis pathway Pathways post-transcriptionally potential therapeutic targets Proteins public health regulate Regulatory RNA SARS-CoV SARS-CoV infection shown signaling pathway TGF-beta TGF-beta signaling therapy transcribed transcript transcripts translated Vaccine virus [DOI] 10.1016/j.biopha.2020.110548 PMC 바로가기 [Article Type] Article