Characterization of multiple interactions between the envelope E protein of SARS-CoV-2 and human BRD4Article Published on 2022-12-162023-07-11 Journal: STAR protocols [Category] COVID19(2023년), [키워드] Cell Biology Microbiology Molecular biology NMR Protein Biochemistry Structural Biology. [DOI] 10.1016/j.xpro.2022.101853 PMC 바로가기
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 SARS-CoV-2. Screening Space the SARS-CoV-2 Vaccines variant variants of concern was used [DOI] 10.1002/anie.202205858 PMC 바로가기
Reduced circulating FABP2 in patients with moderate to severe COVID-19 may indicate enterocyte functional change rather than cell deathArticle Published on 2022-11-052022-11-15 Journal: Scientific Reports [Category] SARS, 바이오마커, 진단, [키워드] acid Alter alteration Biomarker caused cell death change circulating Cohort contribute COVID-19 COVID-19 patient disease dysfunction Europe exclusion FABP2 functional Gut immune include increase in Infection Inflammation Inflammatory responses inhibited marker median metabolites microbial product Mild moderate NMR outliers pathology Patient patients with moderate plasma Plasma marker positive correlation reduced reduction in route of infection SARS-CoV-2 SARS-COV-2 infection severe COVID-19 severe disease severe group Severity of disease shown systemic [DOI] 10.1038/s41598-022-23282-x PMC 바로가기
Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptorArticle Published on 2022-11-022022-11-15 Journal: Scientific Reports [Category] SARS, 치료제, [키워드] Antiviral antivirals binding C-terminal domain cell cultures compounds coronavirus Critical CTD disrupt Genome identify information isothermal titration calorimetry Ligand ligands N protein N-protein NMR nucleocapsid Protein reduced representing RNA SARS-CoV-2 nucleocapsid SARS-CoV-2 replication small molecule the N protein the SARS-CoV-2 the SARS-CoV-2 genome Transcription [DOI] 10.1038/s41598-022-22576-4 PMC 바로가기
Crystallographic study, biological assessment and POM/Docking studies of pyrazoles-sulfonamide hybrids (PSH): Identification of a combined Antibacterial/Antiviral pharmacophore sites leading to in-silico screening the anti-Covid-19 activityResearch article Published on 2022-11-012022-10-05 Journal: Journal of Molecular Structure [Category] 치료제, [키워드] acting activities addition Antimicrobial/Antioxidant bioactivity antioxidant Antiviral approach Bioavailability bioinformatics Compound compounds Delta derivative docking result docking study enzyme evaluated exhibited Free radicals identification Identification of the pharmacophore sites in vitro in-silico information Interaction microorganisms mutants NMR omicron Osiris pathogenic microorganism Petra Petra/Osiris/Molinspiration (POM) analyses pharmacophores PROTECT provided pyrazole Pyrazole Linked Sulfonamide Conjugates shown Structure synergistic target protein tested Toxicity X-ray diffraction [DOI] 10.1016/j.molstruc.2022.133605 [Article Type] Research article
Derivation, Functionalization of (S)-Goniothalamin from Goniothalamus wightii and Their Derivative Targets SARS-CoV-2 MPro, SPro, and RdRp: A Pharmacological PerspectiveArticle Published on 2022-10-172022-11-15 Journal: Molecules [Category] COVID19(2023년), SARS, 치료제, [키워드] (S)-Goniothalamin Anti-viral anticancer antioxidant antiviral properties antiviral property approach characterization complex Compound coronavirus COVID-19 derivation derivative disease drug examined LC-MS molecular molecular dynamics MPro NMR pandemic performed phytochemical platform Pro RdRP required Research SARS-CoV-2 SARS-COV-2 infection Simulation study spike glycoprotein spike glycoprotein. target target protein threat [DOI] 10.3390/molecules27206962 PMC 바로가기
NMR Observation of Sulfhydryl Signals in SARS-CoV-2 Main Protease Aids Structural StudiesArticle Published on 2022-10-062022-11-15 Journal: Chembiochem [Category] COVID19(2023년), SARS, 변종, 치료제, [키워드] 3CL pro AID aliphatic AlphaFold-Multimers amide antiviral drug target backbone binding Combination competitive binding drug design effective experiment High-resolution homodimeric identify Interaction Ligand ligand binding. ligands M pro Mpro/3CLPro N-terminal NMR NMR spectroscopy peptides protease Protein protons remained reveal SARS-CoV-2 sequence signal solvent sulfhydryl thiol group variant [DOI] 10.1002/cbic.202200471 PMC 바로가기
Multi-spectroscopic and free energy landscape analysis on the binding of antiviral drug remdesivir with calf thymus DNAResearch article Published on 2022-10-012022-10-05 Journal: Spectrochimica acta. Part A, Molecular and biomole [Category] 치료제, [키워드] Analysis antiviral drug base pair bind binding binding constant Combination complex DNA DNA binding electrostatic interaction experiment free energy landscape Hoechst 33258 increase in indicated Interaction Intercalation investigated Metadynamics NMR parameter phenyl ring phosphate Potassium REM Remdesivir RNA-dependent RNA polymerase shown Significant Simulation simulation studies Spectroscopy suggested supported [DOI] 10.1016/j.saa.2022.121363 [Article Type] Research article
Colorimetric Detection of the SARS-CoV-2 Virus (COVID-19) in Artificial Saliva Using Polydiacetylene Paper StripsArticle Published on 2022-09-292022-11-15 Journal: Biosensors [Category] SARS, 치료기술, [키워드] antibody artificial bind biosensors colorimetric detection Concentration country COVID-19 COVID-19 disease detect detection group Health iPhone readout N-Hydroxysuccinimide NMR paper paper strips platform POC point-of-care prevention Saliva SARS-CoV-2 SARS-CoV-2 spike protein selective selective and rapid detection. Spike protein Spread strip temperature the SARS-CoV-2 the SARS-CoV-2 virus was determined were used [DOI] 10.3390/bios12100804 PMC 바로가기
Fluorine Atoms on C6H5-Corrole Affect the Interaction with Mpro and PLpro Proteases of SARS-CoV-2: Molecular Docking and 2D-QSAR ApproachesArticle Published on 2022-09-192022-11-15 Journal: International Journal of Molecular Sciences [Category] SARS, 치료제, [키워드] 2D-QSAR 3CL pro acute respiratory syndrome binding binding affinity Compound compounds coronavirus correlation corroles cysteine protease decrease derivative docking score evaluated fluorine in silico in vitro In vitro assay increase in indicated inhibitor insertions Interaction M pro molecular docking molecular docking. MPro NMR nuclear Papain-like protease parameter physical-chemical PLPro protease Quantitative Region SARS-CoV-2 SARS-CoV-2 replication separated target the binding affinity two-dimensional was obtained [DOI] 10.3390/ijms231810936 PMC 바로가기