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
Omicron BA.1 and BA.2 variants increase the interactions of SARS-CoV-2 spike glycoprotein with ACE2Article Published on 2022-12-012022-11-16 Journal: Journal of molecular graphics & modelling [Category] COVID19(2023년), SARS, 변종, 치료기술, [키워드] ACE2 ACE2 receptor Affect angiotensin-converting enzyme 2 Area B.1.1.529 binding binding efficiency binding free energy conformation domain dominant explicit full-length glycans glycoprotein host cells hydrophobic interaction infect Infection initiated Interaction interactions ions Mechanics MMPBSA molecular dynamics Molecular dynamics simulation molecular dynamics simulations mutated Mutation omicron Omicron variant performed RBD RBD-ACE2 receptor residue Salt Bridge SARS-CoV-2 SARS-CoV-2 spike glycoprotein Simulation spike spike glycoprotein spike glycoprotein. strain surface the receptor-binding domain trajectory variant variant of SARS-CoV-2 variants wild-type [DOI] 10.1016/j.jmgm.2022.108286 PMC 바로가기
Non-uniform aspects of the SARS-CoV-2 intraspecies evolution reopen question of its originArticle Published on 2022-12-012022-11-16 Journal: International journal of biological macromolecules [Category] COVID19(2023년), SARS, 변종, 유전자 메커니즘, [키워드] acute respiratory syndrome beta-coronavirus Characteristics conducted conserved coronavirus disease Coronavirus-2 COVID-19 distribution Evenly-uneven Evidence Evolution Frequency functional furin cleavage Furin cleavage site (FCS) hypothese Hypothesis Invariant regions Mutation mutations pandemic Pandemics Protein question Region residue residues SARS-CoV-2 SARS-CoV-2 variant SARS-CoV-2. Support the SARS-CoV-2 Transmissibility unique variants virulence virus [DOI] 10.1016/j.ijbiomac.2022.09.184 PMC 바로가기
SARS-CoV-2 shedding dynamics and transmission in immunosuppressed patients면역 억제 환자의 SARS-CoV-2 발산 역학 및 전파Article Published on 2022-12-012022-09-11 Journal: Virulence [Category] COVID19(2023년), SARS, 변종, 치료기술, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus adjust analysed anatomic site characterized collected conducted coronavirus Diagnosis Diversity dominant E484K first positive fitness genetic change Genome genomic Host hosts household transmission Immunosuppressed immunosuppressed patient immunosuppressed patients in urine in vivo Infection Interaction knowledge long-term viral shedding mother mutate Mutation mutation dynamics N501Y occurred P681R Patient replicate residue residues SARS-CoV-2 SARS-CoV-2 evolution selective Sequencing severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 specific treatment Spike protein spread to Substitution temporal dynamics Transmission two patients Urine variant variant of concern variants variants of concern virus whole genome Whole genome sequencing whole genome sequencing. whole-genome sequencing [DOI] 10.1080/21505594.2022.2101198 PMC 바로가기 [Article Type] Article
Hotspot residues and resistance mutations in the nirmatrelvir-binding site of SARS-CoV-2 main protease: Design, identification, and correlation with globally circulating viral genomesArticle Published on 2022-11-122022-11-15 Journal: Biochemical and Biophysical Research Communication [Category] SARS, 변종, 치료제, [키워드] acute respiratory syndrome Adaptability Antiviral approved circulating coronavirus correlation COVID-19 cases COVID-19 pandemic develop drug resistance FDA highest hotspot intracellular protein Like M pro main protease Mild-to-moderate mutant Mutation mutations Nirmatrelvir offer omicron predicted Probability protease Protein design reported residue residues resistance resistance mutations robust SARS-CoV-2 SARS-CoV-2 lineage signature Signatures of adaptation. Surveillance unique variant Variation variations viral adaptation viral genome viruses [DOI] 10.1016/j.bbrc.2022.09.010 PMC 바로가기
Potential of antibody pair targeting conserved antigenic sites in diagnosis of SARS-CoV-2 variants infectionArticle Published on 2022-11-012022-11-15 Journal: Journal of virological methods [Category] SARS, 변종, 진단, 치료기술, 치료제, [키워드] antibody Antibody pair Antigen antigenic site antigenic sites binding domain candidate caused clinical samples Clusters complex conformational conserved Coronavirus disease 2019 COVID-19 COVID-19 pandemic demonstrated determine develop diagnosis of SARS-CoV-2 diagnostic early diagnosis ELISA Infection mAb mAbs monoclonal antibody pandemic Potential pseudovirus RBD RBD-specific mAbs recognizing residue SARS-CoV SARS-CoV S protein SARS-CoV-2 SARS-CoV-2 receptor SARS-CoV-2 S protein SARS-CoV-2 variant selected Sensitivity and specificity spike Spike antigen. Spike protein substitutions Treatment variant VOCs [DOI] 10.1016/j.jviromet.2022.114597 PMC 바로가기
Decoding the effects of spike receptor binding domain mutations on antibody escape abilities of omicron variantsArticle Published on 2022-10-302022-11-15 Journal: Biochemical and Biophysical Research Communication [Category] COVID19(2023년), SARS, 변종, 진단, [키워드] affinities antibodies antibody Antibody binding antibody escape appear approach approved binding affinity binding free energy cause Coverage COVID19 decrease Effect evaluate globe hotspot immune evasion immunogenic Immunogenic hotspot immunoinformatics K417N monoclonal antibody mutant Mutation mutations omicron Omicron variant Omicron variants Omicron variants. Point mutation RBD mutation RBD-specific antibody recent Receptor binding domain reduce reduction in REGN10987 residue selection pressure significantly single mutation the binding affinity therapeutic vaccination variants [DOI] 10.1016/j.bbrc.2022.08.050 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
Kinetics of Drug Molecule Interactions with a Newly Developed Nano-Gold-Modified Spike Protein Electrochemical Receptor SensorArticle Published on 2022-10-172022-11-15 Journal: Biosensors [Category] COVID19(2023년), SARS, 치료기술, 치료제, [키워드] amplification antiviral drug Chloroquine compounds Concentration correlated COVID-19 Detection sensitivity Developed docking drug drug target drugs electrochemical receptor biosensor exhibit Gln group Hydrogen bond Hydroxychloroquine Interaction investigated kinetic Kinetics limit of detection linear linkage allosterism molecule pandemic Protein provide receptor reported Research residue SARS-CoV-2 sensor Seven spike Spike protein spike protein. the SARS-CoV-2 the spike protein Treatment was used WHO World Health Organization [DOI] 10.3390/bios12100888 PMC 바로가기
Genetic diversity and evolutionary convergence of cryptic SARS- CoV-2 lineages detected via wastewater sequencingArticle Published on 2022-10-142022-11-15 Journal: PLoS Pathogens [Category] COVID19(2023년), SARS, 변종, 진단, 치료기술, 치료제, [키워드] Alpha VOC amino acid substitution amplify approach Course effective Epidemiology genetic diversity greater increasingly Infection Lineage lineages majority mutated New York City occurred omicron over Patient RBD Receptor binding domain reservoirs residue resolved SARS- CoV-2 SARS-CoV-2 SARS-CoV-2 surveillance sequence Sequencing Spread substitutions the RBD USA variant viral lineage VoC wastewater while [DOI] 10.1371/journal.ppat.1010636 PMC 바로가기