Novel covalent and non-covalent complex-based pharmacophore models of SARS-CoV-2 main protease (M pro) elucidated by microsecond MD simulations마이크로초 MD 시뮬레이션으로 밝혀진 SARS-CoV-2 주요 프로테아제(M pro)의 새로운 공유 및 비공유 복합 기반 약전 모델Article Published on 2022-08-182022-09-11 Journal: Scientific Reports [Category] SARS, 치료제, [키워드] active site Analysis AUC values cascade category caused complex conformational changes COVID-19 treatment develop Diagnosis docking drug target effective effort exhibited highest in silico inhibitor inhibitors Interaction knowledge M pro MD simulation MM/PBSA molecular molecular dynamics molecular dynamics simulations novel pandemic pocket Protein protein-ligand protocol reported residue SARS-CoV-2 SARS-CoV-2 main protease the SARS-CoV-2 therapeutic agent Treatment strategies Virtual screening [DOI] 10.1038/s41598-022-17204-0 PMC 바로가기 [Article Type] Article
The Impact of Job and Insurance Loss on Prescription Drug use: A Panel Data Approach to Quantifying the Health Consequences of Unemployment During the Covid-19 Pandemic처방약 사용에 대한 직업 및 보험 손실의 영향: Covid-19 팬데믹 기간 동안 실업이 건강에 미치는 영향을 정량화하기 위한 패널 데이터 접근Article Published on 2022-07-012022-09-11 Journal: International journal of health services : plannin [Category] MERS, 치료제, [키워드] aggregate Care causal relationship chronic conditions conditions consequence COVID-19 pandemic declining drug economic conditions eligibility employment expenditures experiment growth Health Health care Health Care Utilization Health Insurance highest Impact income individual level insurance job Loss Medicaid medication natural experiment pandemic Panel pocket prescription prescription drug Prescriptions provide rapid increase reduce reduction in reductions in shown subsequent The United States unemployment United States [DOI] 10.1177/00207314221078749 PMC 바로가기 [Article Type] Article
The S1 Subunit of the SARS-CoV-2 Spike Protein Activates Human Monocytes to Produce Cytokines Linked to COVID-19: Relevance to Galectin-3SARS-CoV-2 스파이크 단백질의 S1 서브유닛은 인간 단핵구를 활성화하여 COVID-19와 연결된 사이토카인을 생성합니다: 갈렉틴-3과의 관련성Article Published on 2022-03-222022-09-11 Journal: Frontiers in Immunology [Category] SARS, 변종, [키워드] ACE2 activate Activation acute respiratory distress acute respiratory distress syndrome acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 ARDS basophil basophils bind caused component coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 CRS cytokine Cytokine release syndrome Cytokines dendritic dendritic cell disease dysregulated Efficacy epithelial cell epithelial cells Evidence facilitate feature fold galectin-3 Health human monocyte human monocytes immune cells Inflammation innate immune innate immune cell Innate immune cells innate immune response Innate immunity lectin Lung injury mechanism MERS Middle East Middle East respiratory syndrome monocyte Monocytes N-terminal domain novel vaccines NTD pandemic persistence pocket Produce Relevance reported respiratory respiratory distress Respiratory distress syndrome responsible S1 subunit S1-NTD S2 subunit SARS-CoV-1 SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 spike protein severe acute respiratory syndrome Coronavirus shown solid phase spike Spike protein stalk structural homology susceptible individuals syndrome synthesis the S1 subunit the SARS-CoV-2 the spike protein therapeutic interventions Therapeutics Vaccine variants virus while β-Coronaviruses [DOI] 10.3389/fimmu.2022.831763 PMC 바로가기 [Article Type] Article
Importance of Cytopathologic Diagnosis in Early Cancer Diagnosis in Resource-Constrained Countries자원이 제한된 국가에서 조기 암 진단에서 세포병리학적 진단의 중요성Review Published on 2022-02-012022-09-11 Journal: JCO Global Oncology [Category] COVID19(2023년), SARS, 치료기술, [키워드] Cancer cancer control program Cancer screening country cytology cytopathology demonstrated diagnostic diagnostic tests Disadvantages Effect effective globe Health care Health care system Importance increasingly Local malignancies malignancy measure MOST Most patients National pandemic Patient pocket produced provide reducing resources rising Safe SARS-CoV-2 unique utilization [DOI] 10.1200/GO.21.00337 PMC 바로가기 [Article Type] Review
Role of Q675H Mutation in Improving SARS-CoV-2 Spike Interaction with the Furin Binding PocketArticle Published on 2021-12-142022-10-28 Journal: Viruses [Category] COVID-19, SARS, [키워드] Analysis arginine residue binding pocket circulating clades conformations ENhance Evolution evolutionary relationship expressed furin furin cleavage furin cleavage site greater highlight human host Improving Interaction investigated involved Italy Lineage molecular molecular dynamics mutant Mutation new SARS-CoV-2 performed Phylogenesis Phylogenetic pocket polar predicted Prevalence proteolytic Q675H spike mutation role SARS-CoV-2 SARS-CoV-2 evolution SARS-CoV-2 lineage shown spike spike mutation Spike protein viral entry viral fitness Viral protein VoC VOCs [DOI] 10.3390/v13122511 PMC 바로가기 [Article Type] Article
Cosolvent and Dynamic Effects in Binding Pocket Search by Docking SimulationsArticle Published on 2021-11-032022-10-29 Journal: Journal of Chemical Information and Modeling [Category] COVID-19, MERS, SARS, [키워드] acute respiratory syndrome addition binding free energy binding site classical Clustering Combination conformational conformational change coronavirus criteria docking docking result drug Drug discovery dynamic Effect Efficacy ENhance expected food IMPROVE inefficient lack Ligand Local molecular performed pocket probe Protein provided RdRP RNA-dependent RNA polymerase SARS-CoV-2 Simulation solvent Structure target protein Trajectories United State Virtual screening [DOI] 10.1021/acs.jcim.1c00924 PMC 바로가기 [Article Type] Article
Effect of COVID-19-restrictive measures on ambient particulate matter pollution in Yangon, MyanmarResearch Article Published on 2021-09-182022-10-31 Journal: Environmental health and preventive medicine [Category] COVID-19, SARS, [키워드] Air quality ambient anthropogenic carried changes in Compliance Concentration concentrations contributed coronavirus COVID-19 COVID-19 pandemic diagnosed Effect emission evaluate feasible Health highest influence Japan lowest measure Measures Miyagi Mobile PM Sensor pandemic Particulate matter pocket positive raise recent reduce reduction reduction in Research Result risk sensor social environment stay-at-home subject telework was used Yangon [DOI] 10.1186/s12199-021-01014-3 PMC 바로가기 [Article Type] Research Article
Genetic Variability of the SARS-CoV-2 PocketomeSARS-CoV-2 포켓톰의 유전적 변이Article Published on 2021-08-062022-09-11 Journal: Journal of Proteome Research [Category] SARS, 치료제, [키워드] absence active against analyzed assumption binding pocket binding site catalytic site component compounding conserved Coronaviruses COVID-19 COVID-19 patients develop disease effective experimental structure genetic variability Helicase inhibitor mapped Novel coronavirus novel coronaviruses Nsp12 nsp13 other coronaviruses overlapping pandemic pocket portal Protein replication-transcription complex RNA RNA-dependent RNA polymerase SARS-CoV-2 SARS-CoV-2 protein SARS-CoV-2 proteins selective Structure the SARS-CoV-2 Threats Treatment Variation viral replication virus β-coronavirus [DOI] 10.1021/acs.jproteome.1c00206 PMC 바로가기 [Article Type] Article
SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the ProteomeSARS-CoV-2 시뮬레이션은 엑사스케일을 사용하여 스파이크 오프닝을 캡처하고 프로테옴 전체에 비밀 포켓을 나타냅니다.Article Published on 2021-06-122022-09-10 Journal: Nature chemistry [Category] SARS, 변종, 치료제, [키워드] antivirals capture closed structures complex conformational change conformational changes distributed computing Epitopes expand explain Folding@home homologue immune immune evasion Infection less mechanism modulate observé open opening pocket predict Probability Protein protein structures Proteins proteome Quantitative Receptor binding Replication SARS-CoV-2 Simulation spike Structure suppression Viral [DOI] 10.1038/s41557-021-00707-0 PMC 바로가기 [Article Type] Article
Computational Identification of a Putative Allosteric Binding Pocket in TMPRSS2Molecular Biosciences Published on 2021-04-302022-10-31 Journal: Frontiers in Molecular Biosciences [Category] COVID-19, [키워드] activated Activation acute respiratory syndrome allosteric pocket binding binding site camostat catalytic site computer conformational change coronavirus docking enzyme identification inactive induce inhibit inhibitor MD simulation Molecular dynamics simulation Molecular modeling N-terminal pocket Prevent promote proteolytic cleavage reported SARS-CoV-2 selective shown TMPRSS2 TMPRSS2 inhibitors TMPRSS2 protein transmembrane serine protease viral infection viruses [DOI] 10.3389/fmolb.2021.666626 PMC 바로가기 [Article Type] Molecular Biosciences