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 Scutellaria baicalensis tested the SARS-CoV-2 [DOI] 10.1016/j.talanta.2022.123824 PMC 바로가기
Identification and characterization of the anti-SARS-CoV-2 activity of cationic amphiphilic steroidal compounds양이온성 양친매성 스테로이드 화합물의 항 SARS-CoV-2 활성의 확인 및 특성화Article Published on 2022-12-012022-09-11 Journal: Virulence [Category] COVID19(2023년), SARS, 변종, 유전자 메커니즘, 치료제, [키워드] aggravation ameliorated anti-SARS-CoV-2 activities Anti-SARS-CoV-2 Activity Antiviral antiviral activity cationic caused cell lines characterization cholesterol complex Compound compounds COVID-19 pandemic COVID-19 patient cytopathic Cytopathic effect Drug discovery effective envelope envelope proteins epiandrosterone followed by hACE2 HEK293 host cell host cells identification in vitro in vivo indicated inhibited initial involved life Lipid mechanism membrane modulate modulation Mortality Pathogenesis progeny protective effect Protective effects Proteins Quality of life reduce reduce COVID-19 aggravation SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 replication selected Selection single mutation single mutations specific treatment spike steroidal compounds. subversion Transgenic mouse translate transmembrane Treatment treatment of COVID-19 patients Vero Vero CCL81 cell Vero CCL81 cells viral replication Viral RNA viral variant Viral variants [DOI] 10.1080/21505594.2022.2085793 PMC 바로가기 [Article Type] Article
Human-Immune-System (HIS) humanized mouse model (DRAGA: HLA-A2.HLA-DR4.Rag1KO.IL-2RγcKO.NOD) for COVID-19COVID-19에 대한 인간 면역 시스템(HIS) 인간화 마우스 모델(DRAGA: HLA-A2.HLA-DR4.Rag1KO.IL-2RγcKO.NOD)Article Published on 2022-11-302022-09-11 Journal: Human vaccines & immunotherapeutics [Category] SARS, 유전자 메커니즘, [키워드] Anti-viral B cell Blood candidate vaccine CD4 CD8 Cell clinical condition Cord blood COVID-19 COVID-19 research cytotoxic activity DRAGA mice Efficacy epithelial Express expressing functional granzyme B Hematopoietic stem cell Human human ACE2 receptor human antibodies Human immune system human lung-resident CD8 T cells humanized humanized mice IgG antibody immune immunopathological in vivo infused intra-alveolar lung lung immunopathology lung immunopathology. Lungs lymphocyte mechanism mice microthrombi mounted perforin promote Proteins replicating virus response SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 viral secreted surrogate switching System T cell T cells Therapeutics unique upper respiratory airway Viral proteins [DOI] 10.1080/21645515.2022.2048622 PMC 바로가기 [Article Type] Article
Comprehensive Fragment Screening of the SARS-CoV-2 Proteome Explores Novel Chemical Space for Drug DevelopmentArticle Published on 2022-11-142022-11-15 Journal: Angewandte Chemie (International ed. in English) [Category] COVID19(2023년), SARS, 변종, 신약개발, 치료기술, 치료제, [키워드] binding binding site Chemical chemotypes Comprehensive Consensus COVID19-NMR development drug drug design Drug discovery fragment fragment screening functional identify International Intervention Ligand NMR NMR spectroscopy novel performed predict protease Protein Proteins proteome protocol provide public health RNA genome SARS-CoV-2 Screening Space the SARS-CoV-2 Vaccines variant variants of concern was used [DOI] 10.1002/anie.202205858 PMC 바로가기
Characterization and immunogenicity of SARS-CoV-2 spike proteins with varied glycosylationArticle Published on 2022-11-082022-11-15 Journal: Vaccine [Category] SARS, 진단, [키워드] 293 cells 293F cell acute respiratory syndrome addition binding caused Cell changed characterization convalescent sera coronavirus Coronavirus disease-19 COVID-19 Critical discrepancy effective Efficacy elicited exhibited expression globe glycosylated glycosylation glycosylation pattern homogeneity host cells IgG immunization immunogenicity insect cell mammalian cells mice Neutralizing antibody response neutralizing antibody titre pandemic Protein Proteins provide reactivity Receptor binding regimen robust S protein S-2P SARS-CoV-2 SARS-CoV-2 spike protein spike the S protein thermal stability Vaccine Vaccine design Variation virus virus entry while [DOI] 10.1016/j.vaccine.2022.09.057 PMC 바로가기
The human host response to monkeypox infection: a proteomic case series studyArticle Published on 2022-11-082022-11-16 Journal: EMBO Molecular Medicine [Category] 유전자 메커니즘, [키워드] acute phase response Applying Biomarker case sery CFHR1 complement correlation COVID-19 disease severity Diseases endemic area healthy controls Host host response human host Infection Monkeypox virus outbreak overlap Patient plasma plasma protein Protein Proteins proteome proteomic proteomics provided Research similarities suggested suppressed the disease viral infection [DOI] 10.15252/emmm.202216643 PMC 바로가기
Repurposing of the herbal formulations: molecular docking and molecular dynamics simulation studies to validate the efficacy of phytocompounds against SARS-CoV-2 proteinsArticle Published on 2022-11-012022-11-16 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 신약개발, [키워드] Analysis binding affinity can be used Casuarinin Compound Corilagin COVID-19 docking result effective Efficacy evaluate function Herbal in silico Interaction investigated involved Ligand liquorice MD simulation molecular docking molecular dynamics Molecular dynamics simulation New polyherbal formulations Protein Proteins receptor receptor proteins Replication repurposing Result SARS-CoV-2 SARS-CoV-2 protein scored stability suggested the SARS-CoV-2 Traditional medicine Transcription Treatment Trial validation virus was performed [DOI] 10.1080/07391102.2021.1922095 PMC 바로가기
Elucidation of the inhibitory activity of ivermectin with host nuclear importin α and several SARS-CoV-2 targetsArticle Published on 2022-11-012022-11-15 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 치료제, [키워드] 3CL pro 3CLpro acting antiviral activity approach binding binding free energy complex COVID-19 dimeric docked complexes docking explained FDA-approved drug FIVE heterodimeric Host in vitro activity inhibit inhibitor inhibitory activity Ivermectin MD simulation molecular molecular docking Molecular dynamics simulation molecular mechanism nuclear previous study protease Proteins reached Replication responsible SARS-CoV-2 SARS-CoV-2 replication shown Structural analysis structural property target translocation variety virus with COVID-19 [DOI] 10.1080/07391102.2021.1911857 PMC 바로가기
From oncoproteins to spike proteins: the evaluation of intramolecular stability using hydropathic force fieldArticle Published on 2022-11-012022-11-16 Journal: Journal of computer-aided molecular design [Category] 유전자 메커니즘, [키워드] Abraham Affect alteration Amino acid Antibody neutralization antiviral drugs biological activity calculate complexes Donald evaluated example glycoprotein Intramolecular stability LogPo/w mechanism of action modulation mutated Mutation mutations oncoprotein pharmacological polymorphism Protein Proteins Scoring Scoring function. single nucleotide spike stability susceptibility viral replication [DOI] 10.1007/s10822-022-00477-y PMC 바로가기
In silico characterization of mutations circulating in SARS-CoV-2 structural proteinsArticle Published on 2022-11-012022-11-16 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 변종, [키워드] Algorithm Analysis caused circulating computational approach computational tool COVID-19 D614G death Deleterious discrete molecular dynamics DMD envelope protein full-length identify infections meta-data molecular molecular simulations mutant Mutation mutations N protein Neutral NMA non-structural protein normal mode analysis Nsp3 nucleocapsid nucleocapsid protein pandemic predicted Protein protein coding gene protein stability Proteins RdRP RNA-directed RNA polymerase SARS-CoV-2 SARS-CoV-2 genome SARS-CoV-2 genomes sequence Seven Spike protein stability structural protein suggested utilised viral dynamics viral genome viral pathogenicity [DOI] 10.1080/07391102.2021.1908170 PMC 바로가기