Assessment of proton-coupled conformational dynamics of SARS and MERS coronavirus papain-like proteases: Implication for designing broad-spectrum antiviral inhibitorsARTICLES Published on 2020-09-212022-10-30 Journal: The Journal of Chemical Physics [Category] COVID-19, SARS, [키워드] acute respiratory syndrome antiviral drug antiviral inhibitor assessment assist calculated catalytic caused computation conformational coronavirus CoV cysteine cysteine protease drug target Evidence flexible GPU Hypothesis inhibitor lack MERS coronavirus MERS-CoV Middle East modulate molecular Outbreaks pandemic Papain-like protease physiological plasticity PLPro Prevent protonation state residue respiratory syndrome coronavirus SARS-CoV SARS-CoV-2 Simulation starting point structure-based design Support supported viral life cycle [DOI] 10.1063/5.0020458 PMC 바로가기 [Article Type] ARTICLES
Identification of a SARS-like bat coronavirus that shares structural features with the spike glycoprotein receptor-binding domain of SARS-CoV-2Short Communication Published on 2020-09-082022-10-28 Journal: Access Microbiology [Category] COVID-19, [키워드] ACE2 ACE2-RBD acute respiratory syndrome addition Analysis angiotensin-converting enzyme 2 bat coronavirus Betacoronavirus bind cell entry complex composed computation conserved Contact coronavirus COVID-19 Critical defined domain feature identification implicated implication in silico Interaction molecular offer Phylogeny RaTG13 RBD RBD residue RBD-receptor reported residue residues SARS Coronavirus SARS-CoV-2 SARS-like bat coronavirus similarity spike glycoprotein Spike protein Superimposition the RBD the SARS-CoV-2 Vaccine design [DOI] 10.1099/acmi.0.000166 PMC 바로가기 [Article Type] Short Communication
Modeling the Number of Confirmed Cases and Deaths from the COVID-19 Pandemic in the UK and Forecasting from April 15 to May 30, 2020Original Research Published on 2020-09-032022-10-31 Journal: Disaster Medicine and Public Health Preparedness [Category] COVID-19, MERS, [키워드] addition approach average calculated Case-fatality rate computation conducted confidence interval Confirmed confirmed case coronavirus disease COVID-19 cumulative death deaths expected Fatality rate Forecast Forecasting Infection London Model modeling number outbreak pandemic patients of COVID-19 Probability relative increment reported Time series UK [DOI] 10.1017/dmp.2020.312 PMC 바로가기 [Article Type] Original Research
A Computational Model for Estimating the Progression of COVID-19 Cases in the US West and East Coast Population RegionsResearch Article Published on 2020-08-202022-10-31 Journal: Experimental Results [Category] COVID-19, [키워드] affected assigned coast computation Computational model coronavirus coronavirus disease country COVID-19 COVID-19 outbreak East functional greater healthcare measure Model pandemic Pandemics parameter Population predict provided reflect Region SARS-CoV-2 SEIR significantly Transmission dynamics variant Viral transmission West [DOI] 10.1017/exp.2020.45 PMC 바로가기 [Article Type] Research Article
Revealing the targets and mechanisms of vitamin A in the treatment of COVID-19Research Paper Published on 2020-08-152022-10-28 Journal: Aging (Albany NY) [Category] COVID-19, MERS, [키워드] acute respiratory syndrome anti-SARS-CoV-2 Bioinformatics analysis biological processe cause characterized Clinical diagnosis computation conducted coronavirus coronavirus disease COVID-19 death disease effective EGFR Epidemic exhibit function functions ICAM1 IL10 include Infection inflammatory reaction management MAPK1 MAPK14 mechanism network pharmacology pathway patients with COVID-19 pharmacological Pneumonia PRKCB reactive oxygen species regimen SARS-CoV-2 Seven target targets therapeutic therapeutic target treating COVID-19 Treatment treatment for COVID-19 Vitamin vitamin A [DOI] 10.18632/aging.103888 PMC 바로가기 [Article Type] Research Paper
A mathematical model of COVID-19 using fractional derivative: outbreak in India with dynamics of transmission and controlResearch Published on 2020-07-222022-10-28 Journal: Advances in Difference Equations [Category] COVID-19, [키워드] 2019 novel coronavirus 34A08 35A20 35A22 35R11 analysed Analysis basic reproduction number biological parameter Caputo–Fabrizio derivative carried computation coronavirus COVID-19 criteria death disease Effectiveness Endemic Existence and stability fixed Government Impact India investigated iterative Laplace transform mathematical measure number of infected Numerical simulations operator outbreak parameter Picard potential transmission preventive measures sensitivity analysis stability Taking the disease thought threshold Transmission Transmission dynamics [DOI] 10.1186/s13662-020-02834-3 PMC 바로가기 [Article Type] Research
Polymorphic Forms of Valinomycin Investigated by NMR CrystallographyArticle Published on 2020-07-112022-10-29 Journal: International Journal of Molecular Sciences [Category] COVID-19, SARS, [키워드] 2019-nCoV Affect analyzed Antiviral backbone computation conformational Crystallography described DFT dosage Effect expected Factor form forms GIPAW Interaction isotropic marker NMR NMR crystallography nuclei parameter PBE polymorph Polymorphic produced reported solid-state NMR stability valinomycin [DOI] 10.3390/ijms21144907 PMC 바로가기 [Article Type] Article
Bioinformatics analysis of epitope-based vaccine design against the novel SARS-CoV-2Short Report Published on 2020-07-102022-10-29 Journal: Infectious Diseases of Poverty [Category] COVID-19, SARS, [키워드] Analysis antigenicity B-cell epitope B-cell epitopes BepiPred binding bioinformatics Bioinformatics analysis Biotechnology candidate caused center characterized component computation database Discontinuous epitope Epitope-based vaccine exhibited feature genome sequence Gln HLA binding IEDB immune Infection MHC class MHC class I NCBI nucleocapsid protein outbreak pandemic peptide predict predicted Pro produced Protective protein sequence public health Rapid residue resource Result retrieved SARS-CoV-2 spike Spike protein surface T-cell epitope Thr Vaccine Vaccine development [DOI] 10.1186/s40249-020-00713-3 PMC 바로가기 [Article Type] Short Report
Investigation of Some Antiviral N -Heterocycles as COVID 19 Drug: Molecular Docking and DFT CalculationsArticle Published on 2020-05-302022-10-29 Journal: International Journal of Molecular Sciences [Category] COVID-19, [키워드] 6LU7 Affect Amino acid amodiaquine approved atomic binding affinity binding energy Bioactivity calculation caused comparable computation computational modeling coronavirus COVID 19 COVID-19 Critical DFT calculations docked docking drug drug target drugs effective electrostatic evaluate evaluated functional Health highest Hydrogen bond hydrophobic interaction Hydroxychloroquine inhibitor investigated investigation M pro Medicines molecular molecular docking N-heterocycles Novel coronavirus nucleotide analogue pandemic parameter parameters performed polyprotein predicted protease Protein reactivity receptor Remdesivir residue SARS-CoV-2 SARS-CoV-2 main protease selected significantly Simulation study the binding affinity translated Viral RNA were used [DOI] 10.3390/ijms21113922 PMC 바로가기 [Article Type] Article
Covid-19: A Dynamic Analysis of Fatality Risk in ItalyMedicine Published on 2020-04-302022-10-31 Journal: Frontiers in Medicine [Category] COVID-19, [키워드] age analyzed approach case fatality ratio CFR changes in China computation Corona virus country Course death deaths dynamic Epidemic Epidemiology expected fatality Health intensive care units Italian Italy linear management methodological methodology Ministry of Health Older parameter positive provided recorded rehabilitation reported SARS-CoV-2 [DOI] 10.3389/fmed.2020.00185 PMC 바로가기 [Article Type] Medicine