Leveraging SARS-CoV-2 Main Protease (M pro ) for COVID-19 Mitigation with Selenium-Based InhibitorsArticle Published on 2024-01-122024-09-05 Journal: International Journal of Molecular Sciences [Category] update2024, [키워드] coronavirus COVID-19 hydrolysis inhibitor main protease SARS-CoV-2 solubility [DOI] 10.3390/ijms25020971 PMC 바로가기 [Article Type] Article
Punicalagin as an allosteric NSP13 helicase inhibitor potently suppresses SARS-CoV-2 replication in vitroArticle Published on 2022-10-012022-11-15 Journal: Antiviral Research [Category] COVID19(2023년), SARS, 치료제, [키워드] acute respiratory syndrome Analysis Antiviral antiviral drug ATP bind binding biochemical conserved coronavirus coronavirus disease Coronavirus-2 COVID-19 DNA domain drug design Helicase hydrolysis identify in vitro inhibit inhibitor mechanism molecular docking nsp13 Prevent Punicalagin Replication SARS-CoV-2 SARS-CoV-2 replication substrates suppresse surface plasmon resonance the SARS-CoV-2 Treatment Vero cells [DOI] 10.1016/j.antiviral.2022.105389 PMC 바로가기
Optimization of the Prodrug Moiety of Remdesivir to Improve Lung Exposure/Selectivity and Enhance Anti-SARS-CoV-2 ActivityArticle Published on 2022-09-222022-11-15 Journal: Journal of medicinal chemistry [Category] SARS, 변종, 치료제, [키워드] Activation activity analogue antiviral activity antiviral drug antiviral potency Antiviral treatment Concentration COVID-19 COVID-19 patient Efficacy FDA-approved drug hamsters hydrolysis lack lung lung epithelial cell Lungs metabolite moiety NTP nucleoside optimization Patient patients plasma Premature prodrug reducing Remdesivir severe symptom severe symptoms tissue treat variants of SARS-CoV-2 [DOI] 10.1021/acs.jmedchem.2c00758 PMC 바로가기
In vitro evaluation of the impact of Covid-19 therapeutic agents on the hydrolysis of the antiviral prodrug remdesivirResearch article Published on 2022-09-012022-10-05 Journal: Chemico-biological interactions [Category] 변종, 치료제, [키워드] Activation analyzed Anti-inflammatory drugs Antibiotics Antiviral appear AUC cannabidiol carboxylesterase 1 carrier CES1 clearance clinical study COVID-19 Dexamethasone enzyme evaluate evaluated fraction G143E hospitalized patient hydrolysis Hydroxychloroquine impairment in vitro in vitro study in vivo indicated individual inhibit inhibitor Interaction Ivermectin mechanism medication metabolism nine partial inhibition pharmacokinetic polymorphism produced RDV recent reduction Remdesivir required substrates suggested therapeutic agent treating COVID-19 Treatment unlikely variant with COVID-19 [DOI] 10.1016/j.cbi.2022.110097 [Article Type] Research article
MALDI-TOF Mass Spectrometric Detection of SARS-CoV-2 Using Cellulose Sulfate Ester Enrichment and Hot Acid Treatment셀룰로오스 황산염 에스테르 농축 및 고온 산 처리를 사용한 SARS-CoV-2의 MALDI-TOF 질량 분석 검출Article Published on 2022-08-052022-09-11 Journal: Journal of Proteome Research [Category] COVID19(2023년), SARS, 변종, 치료기술, 치료법, [키워드] acid acute respiratory syndrome acute respiratory syndrome coronavirus affinity Algorithm approach aspartate cause Cellulose cellulose sulfate enrichment characterized contributing to coronavirus coronavirus disease Coronavirus disease 2019 Coverage COVID-19 COVID-19 diagnosis demonstrated detection enrichment ester flight functional groups hot acid aspartate-selective hydrolysis hydrolysis MALDI-TOF MS marker mass mass spectrometry N protein nasal swabs nucleocapsid pandemic parameter peptide peptides processed proteomics rapid COVID-19 detection. SARS-CoV-2 sequence severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 sewage sulfate variety virus virus samples virus variant virus variants [DOI] 10.1021/acs.jproteome.2c00238 PMC 바로가기 [Article Type] Article
Nudix hydrolase 18 catalyzes the hydrolysis of active triphosphate metabolites of the antivirals remdesivir, ribavirin, and molnupiravirArticle Published on 2022-08-012022-11-15 Journal: The Journal of Biological Chemistry [Category] COVID19(2023년), SARS, 치료제, [키워드] Antiviral antiviral efficacy catalyzed cells cellular Concentration decrease demonstrated Efficiency endogenous enzyme expressed form hydrolase hydrolysis hydrolyzed limit metabolite molnupiravir notable nucleoside analog nucleotide nucleotide hydrolysis. NUDIX hydrolase NUDT18 occur Remdesivir respiratory epithelial cells ribavirin SARS-CoV-2 SARS-CoV-2 replication tested was determined [DOI] 10.1016/j.jbc.2022.102169 PMC 바로가기
Identification of critical genes and molecular pathways in COVID-19 myocarditis and constructing gene regulatory networks by bioinformatic analysis코로나19 심근염의 핵심 유전자 및 분자경로 규명 및 생물정보분석을 통한 유전자 조절 네트워크 구축Article Published on 2022-06-242022-09-11 Journal: PLoS ONE [Category] COVID19(2023년), SARS, 유전자 메커니즘, [키워드] adjusted Algorithms Analysis bioinformatic analysis bioinformatics biological processe biological processes CDC20 CDK1 Cell cell cycle Compound correlation COVID-19 Critical Cytoscape dataset DEGs differentially expressed gene down-regulated genes drug drugs enrichment analysis etoposide Evidence evidence of fold Functional enrichment analyses Functional enrichment analysis Gene Expression Gene Expression Omnibus gene regulatory network Genes GEO highlighting hydrolysis identification identify in vitro indicated infected with SARS-CoV-2 Interaction KIF20A KIF2C mechanism methotrexate molecular myocarditis network analysis overlapped P-value Pathogenesis pathway Patient PBK performed Perspective pluripotent stem cell Potential biomarker potential biomarkers PPI probe protein-protein interaction provide R software Regulatory signature target transcription factor Treatment Troglitazone turquoise module UBE2C up-regulated was used website were assessed WGCNA with COVID-19 [DOI] 10.1371/journal.pone.0269386 PMC 바로가기 [Article Type] Article
New insights into the catalytic mechanism of the SARS-CoV-2 main protease: an ONIOM QM/MM approachSARS-CoV-2 주요 프로테아제의 촉매 메커니즘에 대한 새로운 통찰력: ONIOM QM/MM 접근법Article Published on 2022-06-012022-09-11 Journal: Molecular diversity [Category] COVID19(2023년), SARS, 치료제, [키워드] antiviral drug target approach calculated catalysis catalytic Catalytic mechanism characterized COVID-19 COVID-19 pandemic described drug design enzyme free energy Gibbs free energy hydrolysis inhibitor involved kinetic data M pro main protease mechanism methodology New protease QM/MM reactant Replication residues SARS-CoV-2 SARS-CoV-2 virus Structure structures the SARS-CoV-2 the SARS-CoV-2 virus thioester treated virus [DOI] 10.1007/s11030-021-10259-7 PMC 바로가기 [Article Type] Article
Understanding the Driving Forces That Trigger Mutations in SARS-CoV-2: Mutational Energetics and the Role of Arginine Blockers in COVID-19 TherapySARS-CoV-2에서 돌연변이를 유발하는 원동력 이해: 돌연변이 에너지와 COVID-19 치료에서 아르기닌 차단제의 역할Article Published on 2022-05-112022-09-11 Journal: Viruses [Category] COVID19(2023년), SARS, 변종, [키워드] 3CLpro accelerated ACE2 ACE2 protein Alpha Amino acid amino acids angiotensin Angiotensin receptor blockers angiotensin type1 receptor Angiotensin-converting enzyme anionic antiviral drug arginine assist association Beta binding biphenyl bisartans blocker blockers candidate drug cleavage site cleavage sites complex complexes Computational approaches conformation conformational contribute COVID-19 COVID-19 therapy Critical Delta delta variant driving drug energetics ENhance equilibrium Evolution of SARS-CoV-2 force furin furin cleavage site Gamma human clinical trials human population hydrolysis hydropathy hydrophilic hydrophobic interaction in silico Infection Interaction interactions interface investigated Lambda molecular Molecular biology molecular dynamic simulations molecular dynamics mutant mutants mutate Mutation omicron Omicron variants pharmacophores polar Protein RBD RBD binding RBD-ACE2 receptor Receptor-binding domain referred to replacement Replication Research residue residues role S-protein salt salt bridges SARS-CoV-2 SARS-CoV-2 RBD SARS-CoV-2 variants SARS-CoV-2 virus sartans Spread suggested target targets tetrazole the RBD the receptor-binding domain the SARS-CoV-2 virus Therapies translation Treatment treatment of COVID-19 Trigger understanding variant variants viral infection virus wild-type virus π-π interaction [DOI] 10.3390/v14051029 PMC 바로가기 [Article Type] Article
Concise synthesis of antiviral drug, molnupiravir by direct coupling of fully protected d-Ribose with cytosineShort communication Published on 2022-05-012022-10-05 Journal: Tetrahedron Letters [Category] 치료제, [키워드] Anti-viral antiviral drug cytidine cytosine d-Ribose effective expand expected group groups hydrolysis hydroxy less molnupiravir Ribonucleoside uridine [DOI] 10.1016/j.tetlet.2022.153783 [Article Type] Short communication