Encapsulated hydroxychloroquine and chloroquine into cyclic oligosaccharides are the potential therapeutics for COVID-19: insights from first-principles calculationsResearch article Published on 2022-01-012022-10-05 Journal: Journal of Molecular Structure [Category] 신약개발, [키워드] Analysis antiviral therapy blistering caused Chest Chloroquine complexes comprehensive analysis coronavirus cough COVID-19 COVID-19 main chain protease COVID-19 pandemic cytotoxicity develop diarrhea drug drugs effective HCQ help Hydroxychloroquine Infection macromolecule modulating molecular molecular docking molecular dynamics Novel coronavirus offer oligosaccharide optical Pain peeling reduce researcher SARS-CoV-2 Scientific community Side effect stability Still Tablet TDDFT Treatment treatment strategy Trial virus worldwide pandemic [DOI] 10.1016/j.molstruc.2021.131371 [Article Type] Research article
Functionalized Nanoparticles in Prevention and Targeted Therapy of Viral Diseases With Neurotropism Properties, Special Insight on COVID-19Microbiology Published on 2021-11-152022-10-31 Journal: Frontiers in Microbiology [Category] COVID-19, [키워드] acute respiratory syndrome antiviral drugs Central nervous system Characteristics CNS coronavirus COVID-19 drug delivery functionalized nanoparticles herpes simplex in vitro in vivo increasingly Infection insight macromolecule nanoparticle neurotropic neurotropic viruses neurovirulent neutralizing antibody Prevent prevention probes Rabies virus reported SARS-CoV-2 sensitivity Symptoms targeted therapy therapy virus viruses Zika virus ZIKV [DOI] 10.3389/fmicb.2021.767104 PMC 바로가기 [Article Type] Microbiology
Endothelial Dysfunction through Oxidatively Generated Epigenetic Mark in Respiratory Viral InfectionsReview Published on 2021-11-072022-10-31 Journal: Cells [Category] COVID-19, SARS, 신종인플루엔자, [키워드] addition alveolar epithelium antiviral drugs Blood blood flow changes in clinical care Control current Cytokines decrease disease distress edema effective Electrolytes endothelial endothelial cells Epigenetic fluids Gene Expression Growth factors host immune system immune cells implication Infection Influenza influenza H1N1 lack leukocyte macromolecule management MARK morbidity and mortality oxidative stress Oxygenation pathological change Patient pulmonary complications Pulmonary edema Pulmonary pathology regulate respiratory Respiratory distress syndrome Respiratory failure respiratory syncytial virus respiratory viral infection respiratory viral infections response risk RSV SARS-CoV-2 syndrome Treatment triggered Vascular Vascular endothelium viral genome viral infections [DOI] 10.3390/cells10113067 PMC 바로가기 [Article Type] Review
Improving sampling of crystallographic disorder in ensemble refinementCcp4 Published on 2021-11-012022-10-27 Journal: Acta crystallographica. Section D [Category] Coronavirus, SARS, [키워드] Affect approach component conformation conformational demonstrated described disorder disorder modelling effective ensemble refinement heterogeneity improvement Improving inherent Local macromolecular macromolecule molecular molecular dynamics physically protease robust shown strained Structure structure refinement structures the SARS-CoV-2 utility [DOI] 10.1107/S2059798321010044 PMC 바로가기 [Article Type] Ccp4
The Role of Micronutrients to Support Immunity for COVID-19 PreventionReview Published on 2021-09-022022-10-29 Journal: Revista Brasileira De Farmacognosia [Category] COVID-19, [키워드] boost caused Coronavirus infection country COVID-19 death Effect Evidence global pandemic healthy immune response immune system ingestion ingredient macromolecule mechanism Micronutrient mineral Minerals Novel coronavirus nutrition prevention PROTECT reduction in role SARS-CoV-2 serious infections spread to Supplements the disease Vitamin vitamins World Health Organization [DOI] 10.1007/s43450-021-00179-w PMC 바로가기 [Article Type] Review
β-Carboline alkaloids induce structural plasticity and inhibition of SARS-CoV-2 nsp3 macrodomain more potently than remdesivir metabolite GS-441524: computational approachArticle Published on 2021-08-302022-10-29 Journal: Turkish Journal of Biology [Category] COVID-19, [키워드] β-carboline ADP-ribose ADP-ribosylation analogue anti-SARS-CoV-2 approach binding affinity binding free energy bioinformatics candidate computational approach coronavirus creating database demonstrated docking docking score drug design Glide GS-441524 Host immune response implicated indicated induce Infection Ligand ligands low expression macrodomain macromolecule metabolite modulated Molecular dynamics simulation Nsp3 nsp3 macrodomain parameter Pathogenesis plasticity predicted receptor Remdesivir reported SARS-CoV-2 screened selected small molecule stability the SARS-CoV-2 Toxicity viral replication [DOI] 10.3906/biy-2106-64 PMC 바로가기 [Article Type] Article
The missing link: covalent linkages in structural modelsCcp4 Published on 2021-06-012022-10-27 Journal: Acta crystallographica. Section D [Category] Coronavirus, SARS, [키워드] AceDRG addition Analysis block CCP4 Monomer Library covalent linkage demonstrated description effort example facilitate identify IMPROVE inhibitor involved library Ligand macromolecule manual PDB problem protease Protein Data Bank proximal restraint dictionary reveal SARS-CoV-2 scanning subject Treatment [DOI] 10.1107/S2059798321003934 PMC 바로가기 [Article Type] Ccp4
Scrutinizing Coronaviruses Using Publicly Available Bioinformatic Tools: The Viral Structural Proteins as a Case StudyMolecular Biosciences Published on 2021-05-242022-10-31 Journal: Frontiers in Molecular Biosciences [Category] COVID-19, [키워드] Analysis antibody antiviral molecule assumed beta-coronavirus Bioinformatic cause caused contribute COVID-19 DeepView molecular graphics program disease Effect effort envelope protein glycoprotein immunomodulator impair knowledge life-threatening Lung infection macromolecule membrane protein MERS-CoV molecular nucleocapsid protein other organ pandemic Protein SARS-CoV SARS-CoV-2 Spike protein stimulate structural protein the SARS-CoV-2 virus tissues Vaccine development viral spike virus viruses [DOI] 10.3389/fmolb.2021.671923 PMC 바로가기 [Article Type] Molecular Biosciences
Rapid response to emerging biomedical challenges and threatsResearch Papers Published on 2021-05-012022-10-29 Journal: IUCrJ [Category] COVID-19, [키워드] approach Biomedical research bioreproducibility complexes coronavirus COVID-19 curtail described evaluate IMPROVE information information noise knowledge less macromolecule methodology offer pandemic Protein Protein Data Bank Rapid reproducibility resource respond resulting SARS-CoV-2 significantly Structure threat [DOI] 10.1107/S2052252521003018 PMC 바로가기 [Article Type] Research Papers
Trace Elements as Immunoregulators in SARS-CoV-2 and Other Viral InfectionsReview Article Published on 2021-02-122022-10-29 Journal: Indian Journal of Clinical Biochemistry [Category] COVID-19, [키워드] Abstract Activation Adequate affected antioxidant antiviral activity article Cell Cell-mediated immunity complex interaction copper COVID-19 Cytokines database deficiency dietary intake downstream effective element functions host immune responses immune response immune system Immunity immuno-modulatory effects in viral Infection infections inhibitory effect Interaction macromolecule manganese modify Other outcome proinflammatory cytokines reactive oxygen species regulate Replication SARS-CoV-2 searched Selenium susceptibility trace Trace element trace elements Viral diseases viral entry viral genome viral infection Zinc [DOI] 10.1007/s12291-021-00961-6 PMC 바로가기 [Article Type] Review Article