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 SARS-CoV-2. Scutellaria baicalensis tested the SARS-CoV-2 [DOI] 10.1016/j.talanta.2022.123824 PMC 바로가기
Nanozyme-strip for rapid and ultrasensitive nucleic acid detection of SARS-CoV-2Article Published on 2022-12-012022-11-15 Journal: Biosensors & bioelectronics [Category] COVID19(2023년), SARS, 치료기술, [키워드] acute respiratory syndrome amplification amplify catalytic clinical sample coronavirus coronavirus disease COVID-19 develop Diagnosis gold standard highlighting HPV-16 limit of detection Nanozyme strips nontoxic nucleic acid nucleic acid amplification Nucleic acid detection pandemic POCT point-of-care point-of-care testing polymerase REcombinase recombinase polymerase amplification reliability RPA RT-PCR SARS-CoV-2 SARS-CoV-2 detection SARS-CoV-2. subsequent TMB unique viral infections virus [DOI] 10.1016/j.bios.2022.114739 PMC 바로가기
Biochemical Characterization of Emerging SARS-CoV-2 Nsp15 Endoribonuclease VariantsArticle Published on 2022-10-302022-11-16 Journal: Journal of Molecular Biology [Category] COVID19(2023년), SARS, 변종, [키워드] Affect analysis analyzed biochemically bioinformatics catalytic caused changed characterization characterized cleavage Combination conserved coronavirus Coronaviruses Course COVID-19 pandemic domain drug design effort endoribonuclease endoribonuclease. EndoU evade Evolution facilitate Genome help Host immune response in vivo inactive increase in innate immune response middle monomeric Mutation N-terminal nonstructural proteins novel coronavirus SARS-CoV-2 Nsp15 oligomerization pandemic Patient prevalent Protein residue RNA SARS-CoV-2 SARS-CoV-2 sequence Sequencing Transcription triggering understanding variant viral genome Viral protein viral replication virus wild type [DOI] 10.1016/j.jmb.2022.167796 PMC 바로가기
The Integral Membrane Protein ZMPSTE24 Protects Cells from SARS-CoV-2 Spike-Mediated Pseudovirus Infection and Syncytia FormationArticle Published on 2022-10-262022-11-15 Journal: mBio [Category] COVID19(2023년), SARS, 유전자 메커니즘, 치료제, [키워드] acute respiratory syndrome appear assays catalytic caused Cell cell-cell fusion cell-cell fusion assay cells cellular cellular component cellular membrane contribute coronavirus coronavirus coronavirus SARS-CoV-2 Coronaviruses COVID-19 COVID-19 pandemic dead defend Defense Efficiency ENhance entry of SARS-CoV-2 examined Formation genetic knockout global public health host cell membranes IFITM IFITMs in viral include Infection inhibiting inhibitory activity innate immune innate immune response Integral interact Interaction interfere intrinsic knockdown lentivirus maturation mechanism membrane membrane protein MHV mouse hepatitis virus nuclear overexpression pandemic Plaque assay precursor prelamin A Prevent protease Proteases PROTECT Protective protective role Protein proteolytic proteolytic activity reduce required restriction factor restriction factor. SARS-CoV-2 SARS-CoV-2 pseudovirus infection shown spike Therapeutic benefit transmembrane protein viral infection viral infections virus virus entry viruses wild-type ZMPSTE24 [DOI] 10.1128/mbio.02543-22 PMC 바로가기
Targeting SARS-CoV-2 Main Protease for Treatment of COVID-19: Covalent Inhibitors Structure-Activity Relationship Insights and Evolution PerspectivesArticle Published on 2022-10-132022-11-15 Journal: Journal of medicinal chemistry [Category] COVID19(2023년), SARS, 치료제, [키워드] analysis analyzed antiviral drug catalytic category cysteine eight electrophilic enzyme example highlighting in silico in vitro in vivo inhibitor inhibitors insight involved mechanism Pathways protease protocols provided reactive relationship Replication reported SARS-CoV-2 Scientific community selective target targeting the SARS-CoV-2 virus without affecting [DOI] 10.1021/acs.jmedchem.2c01005 PMC 바로가기
Elucidation of Binding Features and Dissociation Pathways of Inhibitors and Modulators in SARS-CoV-2 Main Protease by Multiple Molecular Dynamics SimulationsArticle Published on 2022-10-122022-11-15 Journal: Molecules [Category] COVID19(2023년), SARS, 치료제, [키워드] 3D structure active site addition applied binding binding features binding site catalytic Complexes Confusion Coverage COVID-19 dataset delirium dissociation Dizziness drug candidate drug design Dynamics Effectiveness facilitate feature high affinity information inhibitor Ligand M pro MCCS modulator molecular molecular dynamics simulations. MPro Multiple Neurological symptom pathway protease Protein provided reported SARS-CoV-2 Seizures Simulation stroke Vaccine were used [DOI] 10.3390/molecules27206823 PMC 바로가기
Pharmacophore screening to identify natural origin compounds to target RNA-dependent RNA polymerase (RdRp) of SARS-CoV2Article Published on 2022-10-012022-11-15 Journal: Molecular diversity [Category] COVID19(2023년), SARS, 치료제, [키워드] 3CLpro Antiviral Antiviral compound binding binding affinity binding energy calculated catalytic Characteristics complex Compound Corona COVID-19 COVID19 database determine docked docking drug examined explicit solvent group HCQ Hydroxychloroquine identify inhibitor initial Interaction investigated medium molecular pharmacophore Pharmacophore screening physiological Poisson produced protease Protein RdRP RdRp protein residue RNA-dependent RNA polymerase SARS-CoV2 SARS-CoV2 inhibitor. screened Spike protein therapeutic therapy trajectory treat treated [DOI] 10.1007/s11030-021-10358-5 PMC 바로가기
Systematic virtual screening in search of SARS CoV-2 inhibitors against spike glycoprotein: pharmacophore screening, molecular docking, ADMET analysis and MD simulationsArticle Published on 2022-10-012022-11-15 Journal: Molecular diversity [Category] COVID19(2023년), SARS, 치료제, [키워드] absence acting acute respiratory syndrome Amino acid Analysis Anti-viral binding site catalytic coronavirus disease Coronavirus-2 COVID-19 distribution docking score effective Entry inhibitor glycoprotein host cell in silico inhibitor Interaction less Ligand MD simulation MD simulations medications metabolism molecular molecular docking nucleic acid offered performed Precision research finding residue SARS CoV-2 spike spike glycoprotein spike glycoprotein. stability starting point target Toxicity viral entry Virtual screening [DOI] 10.1007/s11030-022-10394-9 PMC 바로가기
Allosteric Hotspots in the Main Protease of SARS-CoV-2SARS-CoV-2의 주요 단백질 분해효소의 알로스테릭 핫스팟Article Published on 2022-09-152022-09-11 Journal: Journal of Molecular Biology [Category] 치료제, [키워드] allosteric site prediction Analysis atomistic graph representation binding site bond candidate catalytic caused COVID-19 pandemic data set drug candidate drug candidates drug target effort enzyme graph theory. highest identify inhibiting knowledge Markov MOST pathway protease Protein random SARS-CoV-2 statistical statistically significant virus [DOI] 10.1016/j.jmb.2022.167748 PMC 바로가기 [Article Type] Article
Platinum-Decorated Gold Nanoparticle-Based Microfluidic Chip Immunoassay for Ultrasensitive Colorimetric Detection of SARS-CoV-2 Nucleocapsid ProteinArticle Published on 2022-09-122022-11-15 Journal: ACS Biomaterials Science & Engineering [Category] SARS, 치료기술, [키워드] amplification Biomarker catalytic catalytic activity complex conserved COVID-19 detection develop diagnostic diagnostics disease false negative result gold Gold nanoparticle high stability immunoassay microfluidic N protein nanoparticle nucleocapsid nucleocapsid protein nucleocapsid protein. pandemic of COVID-19 pathogen POCT point-of-care test Protein SARS-CoV-2 sensitivity Surveillance throat swab [DOI] 10.1021/acsbiomaterials.2c00600 PMC 바로가기