Conformational ensemble of the full-length SARS-CoV-2 nucleocapsid (N) protein based on molecular simulations and SAXS data분자 시뮬레이션 및 SAXS 데이터를 기반으로 한 전장 SARS-CoV-2 뉴클레오캡시드(N) 단백질의 구조적 앙상블Article Published on 2022-09-012022-09-11 Journal: Biophysical chemistry [Category] COVID19(2023년), SARS, 치료법, [키워드] average conditions conformation conformational conformations Contact dimer domain domains Each EROS exhibit experiment fluctuation full-length full-length SARS-CoV-2 gyration hydrophobic intrinsically knowledge Molecular simulation NMR nonspecific nucleocapsid nucleocapsid protein offer Protein radius of gyration Region SARS-CoV-2 SARS-CoV-2 virus SAXS. Structure structures the SARS-CoV-2 virus while X-ray scattering α-helix [DOI] 10.1016/j.bpc.2022.106843 PMC 바로가기 [Article Type] Article
In silico prediction of SARS-CoV-2 main protease and polymerase inhibitors: 3D-Pharmacophore modellingSARS-CoV-2 주요 프로테아제 및 폴리머라제 억제제의 인 실리코 예측: 3D-Pharmacophore 모델링Article Published on 2022-09-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 치료제, [키워드] 3CLpro active site acute respiratory syndrome acute respiratory syndrome coronavirus addition affinity applied approach approved Atazanavir AutoDock binding affinity binding pocket candidate caused chymotrypsin coronavirus COVID-19 determine docking docking study drug effective enzyme hepatitis C hepatitis C virus HIV protease inhibitor identify in silico inhibitors inspiration lowest methodology outbreak overcome pandemic pharmacophore modelling polymerase predict Prevent protease protease 3Clpro. protocol RdRP RNA-dependent RNA polymerase SARS-CoV-2 SARS-CoV-2 main protease social distancing stable complex Structure structures suggested Tegobuvir tipranavir Transmission Treatment Vaccine virus [DOI] 10.1080/07391102.2021.1886991 PMC 바로가기 [Article Type] Article
Microbiome Analysis for Wastewater Surveillance during COVID-19Article Published on 2022-08-302022-11-15 Journal: mBio [Category] COVID19(2023년), SARS, 치료기술, 치료제, [키워드] Analysis association Bacteria can be used carried cell entry circulating collected communicable diseases Community Composite Concentration conditions contagious diseases contributing to correlated COVID-19 D1118H D614G detect DNA DNA and RNA DNA sequencing drastic Environmental risk Factors fungi genetic mutation genetic mutations Health identify incidence incidence of COVID-19 increase in individual infected individuals information K417N metagenome metagenomics Metatranscriptomics microbial Microbiome microorganism molecular nasal swab offer Outbreaks P681H pathogen pathogenic agent provide provided public health Real-time monitoring reflected Reinfection resistance genes Result risk Risk assessment RNA RNA sequencing RT-qPCR S982A Saliva SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 RNA SARS-CoV-2 sequencing selected Sequencing shotgun sequencing Specific structures Surveillance T716I temperature transmission of SARS-CoV-2 Treatment USA viruses wastewater wastewater monitoring wastewater surveillance Wastewater-based epidemiology whole metagenome sequencing. [DOI] 10.1128/mbio.00591-22 PMC 바로가기
Development of spiro-3-indolin-2-one containing compounds of antiproliferative and anti-SARS-CoV-2 properties Research Published on 2022-08-162022-10-05 Journal: Scientific Reports [Category] SARS, 신약개발, 치료제, [키워드] anti-SARS-CoV-2 Apoptosis biological properties cancer cell line Cell cell line Chloroquine Compound Cytometry development Efficacy EGFR explain Flow Hydroxychloroquine inhibitory majority Necrosis standard reference structures Support tested variety Vero Cell viral infection X-ray diffraction [DOI] 10.1038/s41598-022-17883-9 [Article Type] Research
Antibodies induced by an ancestral SARS-CoV-2 strain that cross-neutralize variants from Alpha to Omicron BA.1Alpha에서 Omicron BA.1까지 변이체를 교차 중화하는 조상 SARS-CoV-2 균주에 의해 유도된 항체Article Published on 2022-08-122022-09-11 Journal: Science Immunology [Category] Fulltext, SARS, 변종, 진단, [키워드] ACE2 binding antibodies antibody B cell binding binding site breadth caused Cell Clusters complexes cross-neutralize Defense defined Delta determinant determinants determine disease driven by Efficacy escape Fab FIVE greater highest Host host defense identifying Immune escape immune protection Infection initial memory B memory B cell Mitigation Mutation neutralization neutralization potency neutralize neutralized Neutralizing activity Neutralizing antibodies neutralizing antibody omicron Prevalence RBD real-world data Receptor binding domain recognize recognizing Region SARS-CoV-2 SARS-CoV-2 spike glycoprotein SARS-CoV-2 strain sensitivity Specificities specificity spike glycoprotein Spike receptor binding domain Structure structures tested the RBD the SARS-CoV-2 Vaccine vaccine efficacy variant variants variants of concern Viral viral escape viral invasion Wuhan strain [DOI] 10.1126/sciimmunol.abo3425 PMC 바로가기 [Article Type] Article
Flipped over U: structural basis for dsRNA cleavage by the SARS-CoV-2 endoribonuclease뒤집힌 U: SARS-CoV-2 엔도리보뉴클레아제에 의한 dsRNA 절단의 구조적 기초Article Published on 2022-08-122022-09-11 Journal: Nucleic Acids Research [Category] SARS, 유전자 메커니즘, 치료법, [키워드] activate Activation active site cleavage cleave coronavirus Coronavirus replication Critical cryo-EM structure cryo-EM structures double-stranded dsRNA endoribonuclease evade form generate Host immune MDA5 mechanism Nsp15 Pattern recognition pattern recognition receptor platform processing recognize replication-transcription complex RNA SARS-CoV-2 SARS-CoV-2 Nsp15 single-stranded site-directed mutagenesis structures substrates the SARS-CoV-2 uridine Vesicle viral replication [DOI] 10.1093/nar/gkac589 PMC 바로가기 [Article Type] Article
The mechanism of RNA capping by SARS-CoV-2 Research Published on 2022-08-092022-10-05 Journal: Nature [Category] SARS, 유전자 메커니즘, [키워드] Analysis Antiviral complex COVID-19 domain exonuclease facilitate functional GDP genetics group Host immune Interaction mechanism methyltransferase N terminus nidovirus non-structural protein Nsp12 Nsp9 Nsps required residue RNA RNA genome SARS-CoV-2 SARS-CoV-2 replication SARS-CoV-2 RNA structures transfer translation treat Viral proteins [DOI] 10.1038/s41586-022-05185-z [Article Type] Research
Conformational flexibility in neutralization of SARS-CoV-2 by naturally elicited anti-SARS-CoV-2 antibodies자연적으로 유도된 항-SARS-CoV-2 항체에 의한 SARS-CoV-2 중화의 구조적 유연성Article Published on 2022-08-052022-09-11 Journal: Communications Biology [Category] SARS, 변종, 진단, [키워드] ACE2 ACE2 binding site Alpha anti-RBD anti-SARS-CoV-2 anti-SARS-CoV-2 antibody antibody Arm array Beta bind binding conformations convalescent Cross linking cross-neutralizing Culture Delta Donor elicited epitope evaluate exhibit FIVE flexible Gamma likelihood mAb mAbs mechanism molecular monoclonal antibodies monoclonal antibody mutated neutralization neutralize Neutralizing nine omicron Proteins provide pseudoviruses RBD Receptor binding domain recruited SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 spike trimer SARS-CoV-2 variants Spike protein Spike proteins spike trimer Structure structures subunits tested the RBD the SARS-CoV-2 unique variant variants of concern variants of SARS-CoV-2 Viral viral evolution virus viruses VoC VOCs wild type Wuhan-Hu-1 [DOI] 10.1038/s42003-022-03739-5 PMC 바로가기 [Article Type] Article
Bioactive potentiality of secondary metabolites from endophytic bacteria against SARS-COV-2: An in-silico approachSARS-COV-2에 대한 내생 세균의 2차 대사 산물의 생리 활성 가능성: In-silico 접근Article Published on 2022-08-042022-09-11 Journal: PLoS ONE [Category] SARS, 치료기술, 치료제, [키워드] 3CLpro accelerate accession number aligned ammonia analyses Analysis analyzed antioxidant approach associations Bacillus Bacteria Bacterial biochemically chymotrypsin Chymotrypsin-like protease collected Compound computational tool coronavirus Culture docked docking scores drug-likeness effective enzyme flask culture flavonoid GenBank identify in silico analysis in-silico inhibitor Interaction isolate Lopinavir metabolite metabolites Micrococcus morphologically nine NMR nucleotide nucleotide sequence outcome performed phytohormone plant profiles protease protein-protein network protein-protein networks protocol Pseudomonas species rDNA reported Research Sanger sequencing Secondary Metabolite sequence similarity Staphylococcus structures submission target protein target proteins tested these compounds was performed were assessed [DOI] 10.1371/journal.pone.0269962 PMC 바로가기 [Article Type] Article
CoVM 2: Molecular Biological Data Integration of SARS-CoV-2 Proteins in a Macro-to-Micro MethodCoVM 2: 거시적 방법에서 SARS-CoV-2 단백질의 분자 생물학적 데이터 통합Article Published on 2022-08-022022-09-11 Journal: Biomolecules [Category] SARS, 변종, 치료기술, [키워드] accumulated addition Affect analyzed association B.1.617.2 binding binding affinity binding state Biological calculated causative agent changes in collected COVID-19 COVID-19 pandemic crystal structure crystal structures Data integration Delta docking examined glycoprotein human proteins human receptor human receptors information integration Interaction lack macro molecular Molecular biology Multiple Mutation omicron physical PPI network Protein protein interaction protein structure protein structure docking protein-protein interaction public health receptor protein Research S protein S proteins SARS-CoV-2 SARS-CoV-2 protein SARS-CoV-2 proteins selected sequence strain Structure structures variant variants Viral protein Viral proteins virus–host interactions [DOI] 10.3390/biom12081067 PMC 바로가기 [Article Type] Article