NICEdrug.ch, a workflow for rational drug design and systems-level analysis of drug metabolismTools and Resources Published on 2021-08-032022-10-31 Journal: eLife [Category] COVID-19, [키워드] alleviate Analysis anticancer candidate drug Cell COVID-19 database dataset drug drug clustering drug design drug metabolic fate drug similarity E. coli enzyme Enzyme inhibition evaluate explain golden standard high risk Human human host identify include inhibitory Intensive ligand-based drug discovery malaria mechanism metabolism metabolite nutraceuticals P. falciparum reactive reactivity reduce Research resource Side effects similarity small molecule targets toxicities Toxicity unique [DOI] 10.7554/eLife.65543 PMC 바로가기 [Article Type] Tools and Resources
Pharmacokinetic modelling to estimate intracellular favipiravir ribofuranosyl-5′-triphosphate exposure to support posology for SARS-CoV-2SARS-CoV-2에 대한 용법을 뒷받침하기 위한 세포 내 favipiravir ribofuranosyl-5'-triphosphate 노출을 추정하기 위한 약동학 모델링Original Research Published on 2021-08-022022-09-10 Journal: Journal of Antimicrobial Chemotherapy [Category] SARS, 치료제, [키워드] Analysis Antiviral approach available data canine Cell Chinese patient Chinese patients clearance Combination Concentration consolidation Course described dosing interval driven by dynamic range Elimination estimate Favipiravir in vitro in vitro data indicate kidney Loading dose mathematical mathematical model metabolite objective optimal dose parent pharmacokinetic plasma plasma concentration polymerase Population mean predict predicted regimen Result SARS-CoV-2 Support teratogenicity the SARS-CoV-2 trough [DOI] 10.1093/jac/dkab135 PMC 바로가기 [Article Type] Original Research
The genetic architecture of plasma kynurenine includes cardiometabolic disease mechanisms associated with the SH2B3 geneArticle Published on 2021-08-022022-10-04 Journal: Scientific Reports [Category] 바이오마커, [키워드] approach association Biomarker C-reactive protein cardiometabolic disease cardiovascular diseases chronic inflammation clinical phenotype conducted contributing to CRP diagnose Disease genetics examined FDR Gene regulation Genetic genetic architecture humans identify include increase increased risk independent Inflammation Inflammatory inflammatory pathway involved marker mechanism mendelian randomization metabolism metabolite mice missense variant obesity Pathways plasma Plasma level polymorphism Prognostic markers Record regulate Regulation risk Sh2b3 single-nucleotide SNP SNPs SNPs mapping upstream Variability variant [DOI] 10.1038/s41598-021-95154-9 PMC 바로가기 [Article Type] Article
In silico Studies on the Interaction between Mpro and PLpro From SARS-CoV-2 and Ebselen, its Metabolites and DerivativesSARS-CoV-2와 Ebselen, 그 대사 산물 및 파생물에서 Mpro와 PLpro 간의 상호 작용에 대한 인 실리코 연구Article Published on 2021-08-012022-09-11 Journal: Molecular informatics [Category] SARS, 치료제, [키워드] active sites antiviral drugs carbonyl caused COVID-19 COVID-19 pandemic cysteine density Density functional theory derivative derivatives DFT docking Ebselen electrophilic energetics enzyme Enzyme inhibition Enzymes ethaselen in vitro inhibit inhibitor inhibitors Interaction Jin metabolite molecules MPro Nature nucleophilic organoselenium Papain Papain-like protease PLPro protease Proteases SARS-CoV-2 target tested the SARS-CoV-2 theory thiol Treatment virus replication [DOI] 10.1002/minf.202100028 PMC 바로가기 [Article Type] Article
Changes in drug use in European cities during early COVID-19 lockdowns – A snapshot from wastewater analysis초기 Covid -19 Lockdowns 동안 유럽 도시의 약물 사용 변화 - 폐수 분석의 스냅 샷Article Published on 2021-08-012022-08-31 Journal: Environment international [Category] MERS, SARS, 치료기술, 치료제, [키워드] activities amphetamine Analysis Belgium benzoylecgonine change changes in cocaine collected consequence Consumption country COVID-19 COVID-19 outbreak decrease decreases defined drug Drug use European European cities explain finding heterogeneous Human behaviour impacted in some information Italy limitation Local lockdown lockdowns MDMA measure metabolite methamphetamine movement Netherlands pandemic physical distancing predict reduced reduction restriction risk Seven situation Spain Spread Stimulants supply tetrahydrocannabinol wastewater were measured [DOI] 10.1016/j.envint.2021.106540 PMC 바로가기 [Article Type] Article
Association between urinary per- and poly-fluoroalkyl substances and COVID-19 susceptibilityResearch article Published on 2021-08-012022-10-05 Journal: Environment international [Category] SARS, 바이오마커, [키워드] addition age Analysis association Biomarker BMI body mass index case-control study China Combined Comorbidities controls correlated COVID-19 COVID-19 infection COVID-19 pandemic COVID-19 patient COVID-19 patients COVID-19 susceptibility dysregulation immune immune response implicated increased risk individual Infection involved lab lymphocyte mechanism metabolic abnormalities metabolism metabolite metabolome mitochondrial Mitochondrial function objective Odds ratio Pathogenesis Per- and poly-fluoroalkyl substances PFAS produced quantified recruited Region regulated remained Result risk of COVID-19 risk of infection SARS-CoV2 infection serum Sex statistically significant subject susceptibility Tandem mass spectrometry Total urgency Urine was performed [DOI] 10.1016/j.envint.2021.106524 [Article Type] Research article
The trans-omics landscape of COVID-19COVID-19의 트랜스오믹스 환경Article Published on 2021-07-272022-09-10 Journal: Nature Communications [Category] 바이오마커, 유전자 메커니즘, 임상, 진단, 치료기술, 치료법, [키워드] Analysis Antimicrobial responses arginine arginine depletion Asymptomatic Blood blood sample Blood samples characterization collected Comorbidities Comorbidity coronavirus disease Coronavirus disease 2019 COVID-19 COVID-19 patient COVID-19 patients Critical critical patients Critically ill critically ill patients disease severity Gene regulation in immune cells genomic hallmark health emergency help heterogeneity Immunity Integrative analysis investigated metabolite metabolomic molecular neutrophil Neutrophils outbreak pathophysiology Patient patients Peripheral blood profile profiles proteomic public health threat reported selected Symptom Systems analysis T cell T cell dysfunction therapeutic strategy transcriptomic Tryptophan viral infection [DOI] 10.1038/s41467-021-24482-1 PMC 바로가기 [Article Type] Article
Pathophysiology of SARS-CoV-2 Infection in the Upper Respiratory Tract and Its Relation to Breath Volatile Organic CompoundsOpinion/Hypothesis Published on 2021-07-272022-10-29 Journal: mSystems [Category] COVID-19, [키워드] acute respiratory syndrome airway airways Alter alteration Analysis arising changes in Clinical diagnosis Compound contagious coronavirus COVID-19 diagnosing disease Evidence function Gut Health Infection metabolic processe metabolite microbial Microbiome nasal noninvasive organic presenting public health recent relation respiratory respiratory tract SARS-CoV-2 Screening screening test severe acute respiratory syndrome coronavirus 2 the disease tract upper upper respiratory tract upper respiratory tract infections URTI URTIs VoC VOCs Volatile organic compounds [DOI] 10.1128/mSystems.00104-21 PMC 바로가기 [Article Type] Opinion/Hypothesis
Comparison of metabolites and variety authentication of Amomum tsao-ko and Amomum paratsao-ko using GC–MS and NIR spectroscopyArticle Published on 2021-07-262022-10-04 Journal: Scientific Reports [Category] 바이오마커, [키워드] Amomum Analysis Biochemistry Biomarker can be used China component discrepancy Gas Chromatography-Mass Spectrometry metabolite metabolites metabolomics morphology near-infrared spectroscopy NIRS partial least square PCA phenotype phenotypic Plant sciences principal component analysis tissues variety were used [DOI] 10.1038/s41598-021-94741-0 PMC 바로가기 [Article Type] Article
RS-5645 attenuates inflammatory cytokine storm induced by SARS-CoV-2 spike protein and LPS by modulating pulmonary microbiotaRS-5645는 폐 미생물총을 조절하여 SARS-CoV-2 스파이크 단백질 및 LPS에 의해 유도된 염증성 사이토카인 폭풍을 약화시킵니다Research Paper Published on 2021-07-252022-09-10 Journal: International Journal of Biological Sciences [Category] SARS, 바이오마커, [키워드] 16S rRNA 4-(thiophen-3-yl)-1-(p-tolyl)-1H-pyrrol-3-yl)(3,4,5-trimethoxyphenyl)methanone (RS-5645) abundance Activation addition alveolar alveoli Amino acid amino acid metabolism Analysis attenuate biogenesis cause of death CD11b CD45 CD56 CD56+ cellular COVID-19 patients Critically ill cytokine death elevated exhibited expression Host IFNγ indicated Inflammatory inflammatory cell inflammatory cell infiltration inflammatory cells Inflammatory cytokine Inflammatory cytokine storm inflammatory factor storm inflammatory storm inhibited Intervention involved KEGG LPS lung tissue manifested metabolism metabolite mice microbiota microorganism microorganisms modulating mononuclear cell mononuclear cells mRNA mRNAs overlapping Pathways PBMCs Peripheral blood Peripheral blood mononuclear cells Protein pulmonary microbiota qPCR reduce reduced Research rRNA S protein SARS-CoV-2 (COVID-19) spike protein SARS-CoV-2 spike SARS-CoV-2 spike protein Secondary Metabolite severely and critically ill COVID-19 patients significantly Streptococcus the S protein the SARS-CoV-2 translation unique [DOI] 10.7150/ijbs.63329 PMC 바로가기 [Article Type] Research Paper