In Silico Identification and Validation of Organic Triazole Based Ligands as Potential Inhibitory Drug Compounds of SARS-CoV-2 Main ProteaseArticle Published on 2021-10-142022-10-30 Journal: Molecules [Category] COVID-19, MERS, SARS, [키워드] activity analyzed anti-SARS-CoV-2 therapeutics bemcentinib binding affinity Bisoctrizole candidate caused collected Compound contagious coronavirus docking drug DrugBank database Human identification in silico analysis inhibiting Interaction M pro macromolecular main protease MD simulation molecular MPro organic pandemic parameter pharmacokinetic polyprotein Potential proportions protease Research SARS-CoV-2 SARS-CoV-2 main protease SARS-CoV-2 virus stability Structure targeted therapy the SARS-CoV-2 the SARS-CoV-2 virus these compound translated triazole validation variants Viral RNA virus were assessed [DOI] 10.3390/molecules26206199 PMC 바로가기 [Article Type] Article
Integrin activation is an essential component of SARS-CoV-2 infection인테그린 활성화는 SARS-COV-2 감염의 필수 구성 요소입니다Article Published on 2021-10-142022-09-01 Journal: Scientific Reports [Category] MERS, SARS, 유전자 메커니즘, 진단, [키워드] ACE2 Activation angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme 2 antagonist basal state bind binding Cell adhesion Cell Biology cell entry confocal microscopy cytoplasmic tail Diseases downstream engage Engagement ENhance enzyme expresse extension flow cytometry inactive induce Infection Infectious diseases inhibit inhibited integrin Integrins ligands macromolecular mechanism membrane motif occur Particle peptide Peptide inhibitor Protein receptors rhodamine rhodamine B S protein SARS-CoV-2 SARS-COV-2 infection Signaling subunit viral infection [DOI] 10.1038/s41598-021-99893-7 PMC 바로가기 [Article Type] Article
Imaging and visualizing SARS-CoV-2 in a new era for structural biologyArticles Published on 2021-10-122022-10-29 Journal: Interface Focus [Category] COVID-19, [키워드] accelerated component COVID-19 vaccine Critical Cryo-electron microscopy cryo-electron tomography example greater host cell imaging information interact macromolecular multiscale imaging pandemic provided Research resulting SARS-CoV-2 SARS-CoV-2 pandemic structural biology vaccine platform variety viral outbreak virus X-ray crystallography [DOI] 10.1098/rsfs.2021.0019 PMC 바로가기 [Article Type] Articles
A method for intuitively extracting macromolecular dynamics from structural disorderArticle Published on 2021-09-172022-10-29 Journal: Nature Communications [Category] COVID-19, SARS, [키워드] accounted Analysis approach conformations Cryo-electron microscopy cryo-EM structures disorder example Factors Hierarchical hypothese Implications information macromolecular molecular molecular mechanisms parameter Proteins Quantitative SARS-CoV-2 SARS-CoV-2 proteins STEAP4 Structural analysis structural biology Structure Structure determination structures temperature [DOI] 10.1038/s41467-021-25814-x PMC 바로가기 [Article Type] Article
Elucidation of Teicoplanin Interactions with Drug Targets Related to COVID-19Article Published on 2021-07-152022-10-27 Journal: Antibiotics [Category] COVID-19, [키워드] addition antibiotic average Bacterial infections binding energy binding energy prediction Clinical use complex computation conformational COVID-19 COVID-19 patients docked docking drug effective Efficiency exhibited Frame in vitro Initially Interaction macromolecular management mechanism MM/GBSA molecular molecular docking molecular dynamics Molecular dynamics simulation N-terminal domain non-structural protein nucleocapsid protein Protein SARS-CoV-2 SARS-COV-2 infection stability target targets Teicoplanin therapeutic Trajectories trajectory Treatment [DOI] 10.3390/antibiotics10070856 PMC 바로가기 [Article Type] Article
Glycyrrhizic Acid: A Natural Plant Ingredient as a Drug Candidate to Treat COVID-19Pharmacology Published on 2021-07-092022-10-31 Journal: Frontiers in Pharmacology [Category] COVID-19, [키워드] anti-inflammatory effect can be used candidate caused China Comorbidities complications Compound country COVID-19 COVID-19 pandemic cumulative death deaths drug Effect effective experience glycyrrhizic acid glycyrrhizin human disease immune immune synergy immune system indicate inhibit killing macromolecular natural Patient patients with COVID-19 plant positive Protein reduce replication of SARS-CoV-2 Research SARS virus SARS-CoV-2 Stage steroid metabolism Structure synergy the epidemic the SARS-CoV-2 virus therapeutic drug Traditional Chinese medicine treat treating COVID-19 Treatment Vaccination strategy virus [DOI] 10.3389/fphar.2021.707205 PMC 바로가기 [Article Type] Pharmacology
Insight into the LFA-1/SARS-CoV-2 Orf7a Complex by Protein–Protein Docking, Molecular Dynamics, and MM-GBSA CalculationsArticle Published on 2021-05-272022-10-29 Journal: Journal of Chemical Information and Modeling [Category] COVID-19, MERS, SARS, [키워드] accessory proteins Adhesion Molecule Antigen Area binding calculation complex contribute coronavirus 2 docking Dynamics enrolled Genome Immunoglobulin insight integrin involved lymphocyte macromolecular molecular Open reading frame ORFs pathogenicity reported respiratory SARS-CoV SARS-CoV-2 surface [DOI] 10.1021/acs.jcim.1c00198 PMC 바로가기 [Article Type] Article
Large-Scale Recombinant Production of the SARS-CoV-2 Proteome for High-Throughput and Structural Biology ApplicationsMolecular Biosciences Published on 2021-05-102022-10-31 Journal: Frontiers in Molecular Biosciences [Category] COVID-19, [키워드] accelerate accessory proteins application approach Biology caused cell-free protein synthesis COVID-19 criteria Drug screening effort group Infectious disease Interaction International intrinsically disordered region Laboratory macromolecular majority molecular component NMR NMR spectroscopy nonstructural proteins organized produced Production Protein Proteins protocol provided recombinant Research resource RNA SARS-CoV-2 SARS-CoV-2 protein structural proteins the Betacoronavirus the SARS-CoV-2 valuable resource Viral protein [DOI] 10.3389/fmolb.2021.653148 PMC 바로가기 [Article Type] Molecular Biosciences
Structural biology in the time of COVID-19: perspectives on methods and milestonesTopical Reviews Published on 2021-05-012022-10-29 Journal: IUCrJ [Category] COVID-19, [키워드] acute respiratory syndrome caused Community coronavirus COVID-19 COVID-19 pandemic Cryoelectron microscopy develop effort Examining impacts macromolecular magnitude Microscopy morbidity observé outbreak overlap pandemic PDB Perspective producing Protein Data Bank provide public health SARS-CoV-2 SARS-CoV-2 protein Scientific community structural biology Structure Threats unique Vaccines virus World Health Organization X-ray X-ray crystallography [DOI] 10.1107/S2052252521003948 PMC 바로가기 [Article Type] Topical Reviews
Top-Down and Bottom-Up Proteomics Methods to Study RNA Virus BiologyReview Published on 2021-04-132022-10-28 Journal: Viruses [Category] COVID-19, [키워드] (+)RNA viruses affinity purification liquid chromatography coupled to mass spectrometry (AP-LC-MS/MS) alphaviruses Antiviral approach Biology bottom-up proteomics cellular complex complexes Coronaviruses Critical Effect flaviviruses function functions high mortality Host host responses human disease identify implication information macromolecular mass spectrometry morbidity Pathogenesis Perturbation post-translational modifications Protein protein complexes Replication RNA RNA virus screening method Sequencing Streamline structural proteomics targets top-down proteomics translational unique Viral protein virus [DOI] 10.3390/v13040668 PMC 바로가기 [Article Type] Review