Two-pore channel blockade by phosphoinositide kinase inhibitors YM201636 and PI-103 determined by a histidine residue near pore-entrance Research Published on 2022-07-232022-10-05 Journal: Communications Biology [Category] 변종, [키워드] analyses applied blockade blocker blockers docking Effect endolysosomal endomembrane facilitate histidine Human IC50 identify inhibit inhibitor inhibitors interact Kinase inhibitor kinase inhibitors mechanism molecular mutant pharmacological PI3K PIKfyve inhibitor residue sensitivity Substitution [DOI] 10.1038/s42003-022-03701-5 [Article Type] Research
Drug repurposing based on a quantum-inspired method versus classical fingerprinting uncovers potential antivirals against SARS-CoV-2고전적 지문과 비교하여 양자에서 영감을 받은 방법을 기반으로 한 약물 용도 변경은 SARS-CoV-2에 대한 잠재적인 항바이러스제를 밝혀냅니다.Article Published on 2022-07-182022-09-11 Journal: PLoS Computational Biology [Category] COVID19(2023년), SARS, 변종, 신약개발, 치료제, [키워드] accelerated Algorithm Alpha Antiviral antiviral therapeutics approach approved B.1.1.7 B.1.351 B.1.617.2 Beta binary BMS-986094 Cell culture classical cobalamin Combination comparison Comparisons complex complexity Compound compounds computational resource computational resources COVID-19 pandemic cytotoxicity Delta demonstrated Drug repurposing DrugBank database Efficacy England evaluate form GS-6620 IC50 identify in vitro inhibit inhibited inhibitors inhibitory concentration limit maximum optimization overlap pace parameter predicted problem RdRP Remdesivir replication of SARS-CoV-2 resolved RNA-dependent RNA polymerase SARS-CoV-2 SARS-COV-2 infection screening method several variant several variants strain these compound these compounds vitamin B12 while [DOI] 10.1371/journal.pcbi.1010330 PMC 바로가기 [Article Type] Article
Immunoinformatic paradigm predicts macrophage and T-cells epitope responses against globally conserved spike fragments of SARS CoV-2 for universal vaccination면역 정보 패러다임은 보편적 백신 접종을 위해 SARS CoV-2의 전 세계적으로 보존된 스파이크 단편에 대한 대식세포 및 T 세포 에피토프 반응을 예측합니다Article Published on 2022-07-012022-09-11 Journal: International immunopharmacology [Category] COVID19(2023년), SARS, 변종, [키워드] allele antigenicity bioinformatics CD4+ CD4+ cells conserved country COVID-19 COVID-19 case COVID-19 cases D614G Delta develop Effect epitope Epitopes examined facilitated glycosylation H-bonding help highest HLA-DRB5 IC50 IEDB immunogenicity In silico mutation and antigenicity in some in-silico Inconclusive increase interactions introduced Macrophage MHC class MHC class and CD4+ cells MHC class II MHC-II mutant Mutation omicron predict Proteases reactivity receptors representation response responses against RMSD RMSD plot SARS CoV SARS CoV-2 SARS CoV-2 spike protein SARS-CoV-2 SARS-CoV-2 spike screened Screening sequence Spike protein stability SVMTriP T-cell Universal universal vaccination vaccination Vaccination strategy Vaccine variants Variation VaxiJen V2.0 [DOI] 10.1016/j.intimp.2022.108847 PMC 바로가기 [Article Type] Article
Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening가상 스크리닝을 통한 SARS-CoV-2 주요 프로테아제에 대한 용도 변경 치료제 식별Article Published on 2022-06-302022-09-11 Journal: PLoS ONE [Category] COVID19(2023년), SARS, 신약개발, 치료제, [키워드] 3CLpro addition applied binding binding energy carried cause Combination common drug coronavirus disease Coronavirus disease 2019 criteria Critical crystal structure drug effective effective drug effective drugs Efficiency enzyme FDA-approved drug FDA-approved drugs feature FIVE global pandemic HBD IC50 identification in viral inhibit inhibit SARS-CoV-2 inhibitor inhibitors Lapatinib molecular molecular docking molecular dynamics molecular dynamics simulations pandemic performed protease provide residue SAR-CoV-2 SARS-CoV-2 SARS-CoV-2 main protease selected these compounds viral replication Virtual screening [DOI] 10.1371/journal.pone.0269563 PMC 바로가기 [Article Type] Article
Quercetin and luteolin are single-digit micromolar inhibitors of the SARS-CoV-2 RNA-dependent RNA polymerase Research Published on 2022-06-222022-10-05 Journal: Scientific Reports [Category] COVID19(2023년), SARS, 신약개발, 치료제, [키워드] activities acute respiratory syndrome ancestor binding mode Compound coronavirus cryo-EM structure docking enzyme Health IC50 inhibit inhibitor Intervention Luteolin pandemic pharmacological quercetin RdRP RdRp inhibitor responsible returned RNA-dependent RNA polymerase SARS-CoV-2 starting point target tested the SARS-CoV-2 these compound These data treat variety viral genome replication viral infections Viral proteins [DOI] 10.1038/s41598-022-14664-2 [Article Type] Research
Phytochemical Analysis, Antimutagenic and Antiviral Activity of Moringa oleifera L. Leaf Infusion: In Vitro and In Silico StudiesMoringa oleifera L. 잎 주입의 식물화학적 분석, 항돌연변이 및 항바이러스 활성: 시험관 내 및 실리코 연구Article Published on 2022-06-222022-09-11 Journal: Molecules [Category] COVID19(2023년), SARS, 치료기술, 치료제, [키워드] activity Analysis analyzed anti-DNA damage antioxidant Antiviral AutoDock binding energy butylated hydroxytoluene carried chromone Compound COVID-19 Deoxyribonucleic acid determine DIPHENYL DNA DPPH Factor FIVE flavonoid flavonoids free radical gallic acid glucoside IC50 in silico in vitro information infusion inhibit Interaction involved kaempferol kelor. LC-MS leaf Liquid chromatography maintain Malnutrition mass spectrometry molecular docking Moringa Moringa oleifera MPro overcome phytochemical Plasmid positive controls Prevent protease PROTECT quercetin SARS-CoV-2 SARS-CoV-2 main protease silico studies silico study the SARS-CoV-2 treated was measured water [DOI] 10.3390/molecules27134017 PMC 바로가기 [Article Type] Article
In vitro study on efficacy of PHELA, an African traditional drug against SARS-CoV-2 Research Published on 2022-06-192022-10-05 Journal: Scientific Reports [Category] COVID19(2023년), SARS, 비임상, 치료제, [키워드] ACE2 African angiotensin-converting enzyme 2 apparition approved average binding energy Clerodendrum Combination Compound Concentration coronavirus COVID-19 docking study Efficacy exotic Gladiolus highest affinity IC50 in silico in vitro Infection Interaction investigated MERS-CoV infection other compound pathogenic plant Protein Proteins receptor SARS-CoV SARS-CoV infection SARS-CoV-2 therapeutic therapy for COVID-19 vaccinated individual Vaccine vaccine candidate [DOI] 10.1038/s41598-022-13599-y [Article Type] Research
Clofoctol inhibits SARS-CoV-2 replication and reduces lung pathology in miceClofoctol은 SARS-CoV-2 복제를 억제하고 쥐의 폐 병리를 감소시킵니다Article Published on 2022-05-192022-09-11 Journal: PLoS Pathogens [Category] COVID19(2023년), SARS, 신약개발, 치료제, [키워드] antiviral activity Bacterial cells Clofoctol Compound compounds COVID-19 patients drug Drug repurposing exhibited exhibiting Gene Expression geographical areas human ACE2 receptor human lung IC50 identify Inflammatory inhibit investigated library Lung pathology mice peak concentration pharmacokinetic Pulmonary pathology reduce reduced Registered Regulatory Respiratory tract infections safety profile SARS-CoV-2 SARS-CoV-2 replication screened Support tested therapeutic Therapeutic treatment These data transgenic mice Treatment treatment of COVID-19 patients Viral load [DOI] 10.1371/journal.ppat.1010498 PMC 바로가기 [Article Type] Article
A pair of noncompeting neutralizing human monoclonal antibodies protecting from disease in a SARS-CoV-2 infection modelSARS-CoV-2 감염 모델에서 질병으로부터 보호하는 한 쌍의 비경쟁 중화 인간 단일클론 항체Article Published on 2022-05-012022-09-11 Journal: European Journal of Immunology [Category] COVID19(2023년), MERS, SARS, 변종, 진단, [키워드] Analysis animals antibodies antibody binding candidate cellular receptor cellular receptor hACE2 Cluster competing COVID-19 disease DNA DNA sequence hACE2 human ACE2 human immunoglobulin human monoclonal antibodies Human monoclonal antibody IC50 Immunoglobulin mice N-terminal domain neutralize neutralized Neutralizing Neutralizing antibodies neutralizing antibody pandemic platform powerful tool Prophylaxis Receptor-binding domain reduced SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 mutant SARS-CoV-2 mutants SARS-CoV-2 neutralizing antibody SARS-CoV-2 spike protein selected Spike protein Support the receptor-binding domain the SARS-CoV-2 the spike protein therapy transgenic variants variants of concern Viral viral spread weight loss [DOI] 10.1002/eji.202149374 PMC 바로가기 [Article Type] Article
An orally available Mpro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron Research Published on 2022-04-272022-10-05 Journal: Nature Microbiology [Category] COVID19(2023년), SARS, 변종, 치료제, [키워드] ACE2 ameliorated Antiviral antiviral potency B.1.1.529 B.1.1.7 B.1.617.1 Developing drug target EC50 effective IC50 in viral in vitro in vivo Infection inhibitor K18-hACE2 lethal infection lung mice MPro nasal omicron oral oral bioavailability protease provide Replication SARS-CoV-2 SARS-CoV-2 Mpro SARS-CoV-2 variant survival tissue damage transgenic mice Treatment variant variants wild-type SARS-CoV-2 [DOI] 10.1038/s41564-022-01119-7 [Article Type] Research