Quantum optical immunoassay: upconversion nanoparticle-based neutralizing assay for COVID-19양자 광학 면역 분석 : COVID-19에 대한 상향 전환 나노 입자 기반 중화 분석Article Published on 2022-01-242022-09-01 Journal: Scientific Reports [Category] 진단, 치료기술, 치료제, [키워드] a glass ACE-2 angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme 2 antibody binding domain Biological physics coated with confocal microscope COVID-19 detect dynamic range fluorescent glass high affinity IgG antibody Infection infections Nanoparticles Nanoscale biophysics Neutralizing neutralizing antibody optical Optical sensors pandemic Particle Particles population immunity Prevent Protein quantum reduction in required SARS-CoV-2 receptor SARS-CoV-2 virus sensitivity severity substrate target cells the SARS-CoV-2 virus therapeutic vaccination Viral virion virus was used [DOI] 10.1038/s41598-021-03978-2 PMC 바로가기 [Article Type] Article
Facile Synthesis of N-Doped Graphene Quantum Dots as Novel Transfection Agents for mRNA and pDNAArticle Published on 2021-10-232022-10-30 Journal: Nanomaterials [Category] COVID-19, [키워드] acute respiratory syndrome adopted agent applied comparable complexes coronavirus disease Coronavirus-2 COVID-19 Dot Efficiency electrostatic expected Express gene delivery Gene therapy Genes Graphene graphene quantum dots Lipid nanoparticle LNP mRNA mRNA vaccine mRNAs novel pandemic pDNA Plasmid platform quantum required SARS-CoV-2 stability synthesis target cells temperature the spike protein Toxicity transfection vaccination Vaccine Viral protein Viral vector viral vectors [DOI] 10.3390/nano11112816 PMC 바로가기 [Article Type] Article
Identification of a potential SARS-CoV2 inhibitor via molecular dynamics simulations and amino acid decomposition analysisArticle Published on 2021-10-012022-10-04 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 신약개발, [키워드] Amino acid Analysis binding binding interaction complexes Compound conserved Contact contagious COVID-19 docking results drug effort enzyme Glu166 H-bond interaction Hydrogen bond hydrophobic identification identify in silico in silico hit inhibitor inhibitors Interaction lack less main protease MD simulation molecular molecular docking molecular dynamics Molecular dynamics simulation MPro pathogen physicochemical property provided quantum relative residue SARS-CoV2 SARS-CoV2 main protease stability therapeutic drug torsional Vaccine [DOI] 10.1080/07391102.2020.1797536 PMC 바로가기 [Article Type] Article
Pharmacophore-Based Virtual Screening, Quantum Mechanics Calculations, and Molecular Dynamics Simulation Approaches Identified Potential Natural Antiviral Drug Candidates against MERS-CoV S1-NTDArticle Published on 2021-08-172022-10-30 Journal: Molecules [Category] COVID-19, [키워드] ADME Analysis antiviral drug Arabian Peninsula binding free energy binding site Bioactivity blocking candidate cause Compound compounds coronavirus DFT docking drug Dynamics effective evaluated exhibited facilitate Fatality rate FMO Homo host protein Human human host cells Identified identify Initially LUMO Mechanics MERS-CoV Middle East MM/GBSA molecular molecular docking molecular dynamics Molecular dynamics simulation N-terminal domain natural natural antiviral NTD pathogen performed pharmacophore modeling Potential predicted Protein quantum quantum mechanical calculation reactivity recognize reported Respiratory illness respiratory syndrome coronavirus retrieved S1 subunit S1-NTD Screening selected Simulation Sophoricoside stability Support Toxicity variety Virtual screening virus zoonotic [DOI] 10.3390/molecules26164961 PMC 바로가기 [Article Type] Article
Quantum algorithm for quicker clinical prognostic analysis: an application and experimental study using CT scan images of COVID-19 patientsResearch Article Published on 2021-07-302022-10-27 Journal: BMC Medical Informatics and Decision Making [Category] Coronavirus, SARS, [키워드] Accuracy Algorithm artificial intelligence average Clinical practice CNN complex conducted COVID-19 COVID-19 patient CT scan deep learning diagnosing Diagnosis disease Efficacy Efficiency evaluate exhibiting faster GPU Healthcare system implementation India machine learning Machine learning algorithms Medical imaging and analysis Medical informatics outperform Pneumonia problems prognostic quantum Quantum neural networks recall required Research Result Sample size Stress tomography Treatment [DOI] 10.1186/s12911-021-01588-6 PMC 바로가기 [Article Type] Research Article
High-Throughput Screening and Quantum Mechanics for Identifying Potent Inhibitors Against Mac1 Domain of SARS-CoV-2 Nsp3SARS-CoV-2 Nsp3의 Mac1 도메인에 대한 강력한 억제제를 식별하기 위한 고성능 스크리닝 및 양자 역학Article Published on 2021-07-012022-09-11 Journal: IEEE/ACM transactions on computational biology and [Category] SARS, 치료제, [키워드] acceptor ADP-ribose ADP-ribosylation Against Antiviral antiviral activity binding binding pocket compounds conserved coronavirus CoV database docking domain Donor drug target electron donor ENCODE enzymatic activity enzyme host response identifying inhibitor inhibitors Interaction Mac1 Mechanics molecular dynamics mono nonstructural protein 3 Nsp3 other coronaviruses pathogenicity phosphate potent protein 3 provide quantum regions Regulatory residue ribose SARS-CoV-2 Screening substrate Tight binding unique viral infections virulence virulence factor Zinc [DOI] 10.1109/TCBB.2020.3037136 PMC 바로가기 [Article Type] Article
Virtual Screening of Phytochemicals by Targeting HR1 Domain of SARS-CoV-2 S Protein: Molecular Docking, Molecular Dynamics Simulations, and DFT StudiesResearch Article Published on 2021-05-202022-10-27 Journal: BioMed Research International [Category] Coronavirus, COVID-19, SARS, [키워드] administration Analysis analyzed binding candidate Compound COVID-19 COVID-19 pandemic docking drug Drug discovery drug-likeness Dynamics effective functional globe HR1 domain impacted in vitro in vivo inhibitor Initially Ligand Lycopene molecular molecular docking morbidity and mortality pathogen pharmacological phytochemical plant quantum reactivity receptor Safe SARS-CoV-2 S SARS-CoV-2 spike protein screened Screening stability targeting these compound these compounds threshold Treatment Vaccine was performed [DOI] 10.1155/2021/6661191 PMC 바로가기 [Article Type] Research Article
Virtual Screening of Phytochemicals by Targeting HR1 Domain of SARS-CoV-2 S Protein: Molecular Docking, Molecular Dynamics Simulations, and DFT StudiesSARS-CoV-2 S 단백질의 HR1 도메인을 표적으로 하는 파이토케미컬의 가상 스크리닝: 분자 도킹, 분자 역학 시뮬레이션 및 DFT 연구Research Article Published on 2021-05-202022-09-10 Journal: BioMed Research International [Category] 치료제, [키워드] administration Analysis analyzed binding candidate Compound COVID-19 COVID-19 pandemic Density functional theory docking drug Drug discovery drug-likeness Dynamics effective functional globe HR1 domain impacted in vitro in vivo inhibitor Initially Ligand Lycopene mind molecular molecular docking molecular dynamics molecular dynamics simulations morbidity and mortality mortality rate pathogen Pathogens pharmacological phytochemical plant quantum reactivity receptor Safe SARS-CoV-2 S SARS-CoV-2 spike protein screened Screening Spike protein stability targeting these compound these compounds threshold Treatment Vaccine was performed [DOI] 10.1155/2021/6661191 PMC 바로가기 [Article Type] Research Article
Virtual Screening of Phytochemicals by Targeting HR1 Domain of SARS-CoV-2 S Protein: Molecular Docking, Molecular Dynamics Simulations, and DFT StudiesResearch Article Published on 2021-05-202022-10-27 Journal: BioMed Research International [Category] COVID-19, [키워드] administration Analysis analyzed binding candidate Compound COVID-19 COVID-19 pandemic docking drug Drug discovery drug-likeness Dynamics effective functional globe HR1 domain impacted in vitro in vivo inhibitor Initially Ligand Lycopene molecular molecular docking morbidity and mortality pathogen pharmacological phytochemical plant quantum reactivity receptor Safe SARS-CoV-2 S SARS-CoV-2 spike protein screened Screening stability targeting these compound these compounds threshold Treatment Vaccine was performed [DOI] 10.1155/2021/6661191 PMC 바로가기 [Article Type] Research Article
Circulating activated neutrophils in COVID-19: An independent predictor for mechanical ventilation and deathCOVID-19의 순환 활성화 호중구: 기계적 환기 및 사망에 대한 독립적인 예측인자Article Published on 2021-05-012022-09-11 Journal: International Journal of Infectious Diseases [Category] SARS, 바이오마커, 치료기술, [키워드] Aberrant neutrophil response activated neutrophil Activated neutrophils adverse outcome age analyzed Biomarker Blood Clinical outcome clinical risk factor COVID-19 Critical illness cut-off value death diabete diabetes exacerbated fluorescence intensity Host immune response hypertension hypoxia IL-6 Immunity independent Inflammation Innate Innate immunity interleukin interleukin-6 mechanical ventilation neutrophil neutrophil activation neutrophil response Neutrophils obesity opens Patient predict predictor quantum Ratio Retrospective study sensitivity Significant specificity Support Therapeutic strategies tissue Viral viral replication [DOI] 10.1016/j.ijid.2021.03.066 PMC 바로가기 [Article Type] Article