computational analysis – Communicable Diseases Research

SARS-CoV-2 infection dynamics revealed by wastewater sequencing analysis and deconvolution

Article

Published on 2022-12-202022-11-15
Journal: The Science of the total environment
[Category] COVID19(2023년), SARS, 변종, 치료기술, 치료제,

Structural interactions of phytoconstituent(s) from cinnamon, bay leaf, oregano, and parsley with SARS-CoV-2 nucleocapsid protein: A comparative assessment for development of potential antiviral nutraceuticals

Article

Published on 2022-10-012022-11-15
Journal: Journal of food biochemistry
[Category] COVID19(2023년), SARS, 진단, 치료제,

[키워드] affinity Antiviral antiviral agent apigenin binding binding domain binding interaction biological activity C-terminal Cancer Cancer cells candidate carried cell line cell lines cells Cinnamomum cinnamon complex Complexes components Compound computational analysis computational approach CTD cytotoxicity death drug candidate Druglikeness effective Efficacy evaluate evaluated examined greater HPLC in silico in vitro in vivo Interaction lack less molecular molecular dynamics MTT N-terminal Naturally NTD nucleocapsid nutraceutical oregano Origanum outcome parsley. plant predicted profile Prophylactic Protein provided Research responsible RNA SARS-CoV-2 SARS-CoV-2 nucleocapsid SARS-CoV-2 nucleocapsid protein stability symptomatic targets therapeutic therapeutic drug therapy Toxicity treating COVID-19 Treatment virus was determined was performed worsened
[DOI] 10.1111/jfbc.14262 PMC 바로가기

Urban Determinants of COVID-19 Spread: a Comparative Study across Three Cities in New York State

Article

Published on 2022-10-012022-11-16
Journal: Journal of Urban Health : Bulletin of the New York
[Category] COVID19(2023년), SARS, 치료기술,

Missense mutations in spike protein of SARS-CoV-2 delta variant contribute to the alteration in viral structure and interaction with hACE2 receptor

Article

Published on 2022-09-012022-11-16
Journal: Immunity, Inflammation and Disease
[Category] SARS, 변종, 유전자 메커니즘,

[키워드] ACE2 ACE2 receptor Acidic acute respiratory syndrome Alter analyzed circulating computational analysis conformational contribute contributed coronavirus coronavirus disease COVID-19 Defense delta variant disease domain elevated Evidence functional hACE2 receptor help Host Immune escape in viral India induce infection rate Interaction L452R mechanism Missense mutation molecular molecular docking Morphological Mutation mutations Pandemics physiochemical analysis Protein provided respiratory tract infection RNA SARS-CoV-2 SARS-CoV-2 delta spike glycoprotein Spike protein spike protein. stability T478K the RBD variant variant spike virus
[DOI] 10.1002/iid3.683 PMC 바로가기

Molecular and computational analysis of spike protein of newly emerged omicron variant in comparison to the delta variant of SARS-CoV-2 in Iraq

이라크에서 SARS-CoV-2의 델타 변이체와 비교하여 새로 출현한 오미크론 변이체의 스파이크 단백질의 분자 및 컴퓨터 분석

Article

Published on 2022-08-012022-09-11
Journal: Molecular biology reports
[Category] COVID19(2023년), SARS, 변종,

[키워드] ACE2 acute respiratory syndrome coronavirus Affect amino acids angiotensin angiotensin converting enzyme binding affinity bioinformatics computational analysis computational tool computational tools concerning contagious contributing to COVID-19 Delta delta variant Delta variants disorder Docking studies docking study engage enzyme greater Health higher affinity human ACE2 human angiotensin converting enzyme 2 hydrophobic amino acid identify Interaction Iraq less molecular molecular docking omicron Omicron variant Omicron variants pathogenicity PCR Phylogenetic analysis physical physical and chemical properties predicted qPCR RBD RBD region Receptor binding domain respiratory SARS-CoV-2 SARS-CoV-2 variants SARS-CoV-2. Sequencing severe acute respiratory syndrome Coronavirus Spike protein stability the spike protein Transmissibility Transmission Vaccine variant variant of SARS-CoV-2 variants variants of concern virus were used WHO
[DOI] 10.1007/s11033-022-07545-4 PMC 바로가기 [Article Type] Article

The influence of new SARS-CoV-2 variant Omicron (B.1.1.529) on vaccine efficacy, its correlation to Delta variants: A computational approach

새로운 SARS-CoV-2 변이체 Omicron(B.1.1.529)이 백신 효능에 미치는 영향, Delta 변이체와의 상관관계: 전산적 접근

Article

Published on 2022-08-012022-09-11
Journal: Microbial pathogenesis
[Category] COVID19(2023년), MERS, SARS, 변종, 진단,

[키워드] addition Analysis antibody approach AY.1 B.1.1.529 binding affinity caused computational analysis correlation COVID CR3022 Delta Delta variants docking docking analysis domain Effect Efficacy Host hosts human ACE2 receptor human monoclonal antibodies Human monoclonal antibody immune evasion in silico Approach In-silico analysis Interaction lead MD simulation Modification Mutation neutralizing antibody new SARS-CoV-2 omicron Omicron variant Omicron. pathogenicity promote Proteins RBD RBD variant Reinfection SARS-CoV-2 variant Spike proteins Strains Structure the binding affinity the WHO Vaccine variant
[DOI] 10.1016/j.micpath.2022.105619 PMC 바로가기 [Article Type] Article

Early detection and surveillance of SARS-CoV-2 genomic variants in wastewater using COJAC

COJAC을 사용한 폐수 내 SARS-CoV-2 게놈 변이체의 조기 탐지 및 감시

Article

Published on 2022-08-012022-09-11
Journal: Nature Microbiology
[Category] COVID19(2023년), SARS, 변종, 유전자 메커니즘, 진단, 치료기술,

Insights into the structural peculiarities of the N-terminal and receptor binding domains of the spike protein from the SARS-CoV-2 Omicron variant

SARS-CoV-2 Omicron 변이체의 스파이크 단백질 N-말단 및 수용체 결합 도메인의 구조적 특성에 대한 통찰력

Article

Published on 2022-08-012022-09-11
Journal: Computers in biology and medicine
[Category] COVID19(2023년), SARS, 변종,

[키워드] Accessibility ACE2 addition Analysis antibody B.1.1.529 BA.1) binding binding domain binding efficiency changes in computational analysis COVID-19 COVID-19 vaccines Effect Epitopes evaluated free energy glycan glycans higher infectivity insight Interaction mAb molecular dynamics molecular dynamics simulations Mutation N-terminal N-terminal domain N-terminal domain (NTD) Neutralizing NTD NTDs omicron Omicron (B.1.1.529 Omicron variant performed Protein provide raised RBD RBD domain RBDs Receptor binding domain receptor binding domain (RBD) reduce reducing residue SARS-CoV-2 SARS-CoV-2. specific antibodies Spike protein stability the RBD the SARS-CoV-2 the spike protein variant variant of SARS-CoV-2 Wuhan
[DOI] 10.1016/j.compbiomed.2022.105735 PMC 바로가기 [Article Type] Article

Proteomic Profile of Procoagulant Extracellular Vesicles Reflects Complement System Activation and Platelet Hyperreactivity of Patients with Severe COVID-19

응고촉진 세포외 소포의 단백질 프로파일은 중증 COVID-19 환자의 보체 시스템 활성화 및 혈소판 과민반응을 반영합니다

Article

Published on 2022-07-222022-09-11
Journal: Frontiers in Cellular and Infection Microbiology
[Category] COVID19(2023년), SARS, 유전자 메커니즘,

[키워드] acute inflammatory response alteration analyzed applied approach biological processe biological processes Biomarker Biomarkers cascades caused change changes in circulating Coagulation complement complement factors computational analysis COVID-19 COVID-19 patients Cytometry degranulation disease pathogenesis Diseases EVs experiment expressed extracellular vesicle Extracellular vesicles Flow flow cytometry group healthy donor healthy donors identify increase in indicated infected with SARS-CoV-2 LC-MS LC-MS/MS molecular pathophysiological Patient plasma Platelet Platelets procoagulant procoagulant activity profile progression Protein proteome proteomic SARS-CoV-2 SEC severe COVID-19 severe COVID-19 patients severity of COVID-19 significant changes in size exclusion chromatography System the disease tissue Tissue Factor Tissue factor. total protein Vesicle was performed
[DOI] 10.3389/fcimb.2022.926352 PMC 바로가기 [Article Type] Article

Alterations in the molecular composition of COVID-19 patient urine, detected using Raman spectroscopic/computational analysis

라만 분광/전산 분석을 사용하여 감지한 COVID-19 환자 소변의 분자 구성 변화

Article

Published on 2022-07-182022-09-11
Journal: PLoS ONE
[Category] COVID19(2023년), MERS, SARS, 진단, 치료기술,

[키워드] Abnormalities Accuracy affected alteration Analysis analyzed Bladder cancer Care Chain Reaction Chromatography Clinical pathology collected complex component components computational analysis Contact contact with contributing to correlation correlations COVID-19 COVID-19 disease COVID-19 patient creatinine defined detect determine disease disease severity EGFR elevated fingerprint gas chromatography Gas Chromatography-Mass Spectrometry GC-MS glomerular filtration rate healthy healthy individual healthy individuals Hospitalized HPLC identify in urine include Infection Inflammatory liquid Liquid chromatography Long mass spectrometry metabolomic analysis Mild moderate molecular Negative predictive value pathology Patient patients performance Peritoneal dialysis positive Positive predictive value Predictive value Raman spectroscopy random ranged reaction representing respiratory RT-PCR SARS-CoV-2 virus sensitivity serum creatinine severity specificity specimen specimens Spectrometry Symptom symptomatic tested Urinalysis Urine urine specimens Viral Volunteer with COVID-19
[DOI] 10.1371/journal.pone.0270914 PMC 바로가기 [Article Type] Article