A Vimentin-Targeting Oral Compound with Host-Directed Antiviral and Anti-Inflammatory Actions Addresses Multiple Features of COVID-19 and Related Diseases숙주 지향적 항바이러스 및 항염 작용이 있는 Vimentin 표적 경구 화합물은 COVID-19 및 관련 질병의 여러 특징을 다룹니다Research Article Published on 2021-10-122022-09-10 Journal: mBio [Category] MERS, 변종, 치료제, [키워드] Action affected Anti-inflammation anti-inflammatory actions Antiviral Bleomycin cellular cellular processe complications Compound COVID-19 cultured cells damage disease symptom Diseases drug effective Efficacy endosomal trafficking Factor fibrosis filaments focus function host immune responses host-directed antiviral human ACE2 hyperinflammation identify immune responses Infection inhibited late-stage disease lung damage Lung injury macrophages mechanism mice Multiple oral outcome overactive pathogen pathogen clearance Patient physical physical properties Protein RATs reduced reducing regulatory T cells Safe SARS-COV-2 infection SARS-CoV-2 spike protein SARS-CoV-2 virus small molecule Spike protein T cells targets the SARS-CoV-2 the SARS-CoV-2 virus therapeutic agent therapeutic agents therapeutic potential treating COVID-19 triggered unique vimentin Viral Viral load Viral mutations [DOI] 10.1128/mBio.02542-21 PMC 바로가기 [Article Type] Research Article
Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computersArticles Published on 2021-10-122022-10-29 Journal: Interface Focus [Category] COVID-19, [키워드] accelerate Antiviral compound antiviral drug approach artificial intelligence complement Compound COVID-19 demonstrated dependent on drug Drug discovery free energy predictions global pandemic identify In silico methods inefficient inhibitor limitation linear machine learning molecular dynamics New novel drug design pandemic required resulting small molecule target protein variety viability [DOI] 10.1098/rsfs.2021.0018 PMC 바로가기 [Article Type] Articles
SARS-CoV-2 nucleocapsid protein forms condensates with viral genomic RNASARS-COV-2 Nucleocapsid 단백질은 바이러스 게놈 RNA와 응축수를 형성한다Research Article Published on 2021-10-112022-09-10 Journal: PLoS Biology [Category] MERS, SARS, 유전자 메커니즘, 치료법, [키워드] acute respiratory syndrome coronavirus Alter asymmetric Base pairing cause coronavirus coronavirus 2 coronavirus disease Coronavirus disease 2019 COVID-19 Cross-linking Deletion disrupt form genomic RNA global health Health host cells identify in vitro infected cells Infection inhibit Interaction interactions mammalian cells mass spectrometry mechanism membrane N protein N proteins nucleocapsid pandemic proliferation Protein respiratory RNA RNA genome SARS-CoV-2 SARS-CoV-2 genome SARS-CoV-2 nucleocapsid severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 shape small molecule Small molecules substrate the N protein the SARS-CoV-2 the SARS-CoV-2 genome Viral viral genome viral genomic RNA viral particle Viral RNA virion while [DOI] 10.1371/journal.pbio.3001425 PMC 바로가기 [Article Type] Research Article
Screening Potential Drugs for COVID-19 Based on Bound Nuclear Norm RegularizationGenetics Published on 2021-10-072022-10-31 Journal: Frontiers in Genetics [Category] COVID-19, [키워드] anti-SARS-CoV-2 association AUC binding energy Bound bounded nuclear norm regularization calculate Complete conducted contribute COVID-19 dataset datasets docking drug drug candidates drugs effective Favipiravir FDA-approved drugs G496 genomic sequence heterogeneous human Angiotensin-converting enzyme K353 mizoribine molecular docking norm Novel coronavirus overlapping Pneumonia Potential predict predicted profile Remdesivir residue ribavirin SARS-CoV-2 SARS-CoV-2 spike protein Screening second similarities similarity small molecule Structure therapeutic strategy Treatment virus virus-drug association [DOI] 10.3389/fgene.2021.749256 PMC 바로가기 [Article Type] Genetics
Fragment-based in silico design of SARS-CoV-2 main protease inhibitorsSARS-CoV-2 주요 프로테아제 억제제의 단편 기반 in silico 설계Article Published on 2021-10-012022-09-11 Journal: Chemical biology & drug design [Category] SARS, 신약개발, 치료제, [키워드] 3CLpro approach AutoDock AutoDock vina binding binding affinity binding mode binding pocket co-crystallized Compound conformation conformations coronavirus Coronavirus COVID-19 crystal structure domain Drug discovery eight fragment fragment-based drug discovery generate Glide in silico inhibitor interactions linear combination linker main protease Mpro 3CLpro MD simulation MPro multivalency. Precision protease Protein Data Bank provided SARS-CoV-2 SARS-CoV-2 main protease SARS-CoV-2 replication screened selected small molecule Small molecules starting point Structure structures suggested therapeutic strategy were used X-ray X-ray crystal structure [DOI] 10.1111/cbdd.13914 PMC 바로가기 [Article Type] Article
A Drug Repurposing Approach for Antimalarials Interfering with SARS-CoV-2 Spike Protein Receptor Binding Domain (RBD) and Human Angiotensin-Converting Enzyme 2 (ACE2)Article Published on 2021-09-232022-10-28 Journal: Pharmaceuticals [Category] COVID-19, [키워드] ACE2 acute respiratory syndrome antimalarial Antimalarial drugs artemisone bind binding binding affinity bio-layer interferometry Cell complex Compound coronavirus docking study drug Drug repurposing Human human Angiotensin-converting enzyme in silico in vitro indicated inhibit Interaction interaction pattern interfere Invasion Ligand molecular dynamics Molecular dynamics simulation predicted pyronaridine RBD RBD-ACE2 repurposing SARS-CoV-2 small molecule spike Spike protein stability the RBD the receptor-binding domain viral spike protein [DOI] 10.3390/ph14100954 PMC 바로가기 [Article Type] Article
The Natural Stilbenoid (–)-Hopeaphenol Inhibits Cellular Entry of SARS-CoV-2 USA-WA1/2020, B.1.1.7, and B.1.351 Variants천연 stilbenoid (-)-Hopeaphenol은 SARS-COV-2 USA-WA1/2020, B.1.1.7 및 B.1.351 변이체의 세포 진입을 억제합니다.Antiviral Agents Published on 2021-09-202022-09-10 Journal: Antimicrobial Agents and Chemotherapy [Category] 변종, [키워드] ACE2 ACE2 binding activities activity addition Alpha analogue angiotensin Angiotensin-converting enzyme Antiviral Antiviral agents B.1.1.7 B.1.351 Beta binding Compound Concentration coronavirus COVID-19 Cytopathic effect cytotoxicity effective effective inhibitor example expressing Host identify in vitro Infectious virus inhibited inhibitor inhibitory concentration interfere natural natural products pandemic pseudovirus pseudovirus assay pseudovirus assays RBD receptor Receptor binding domain reduction Remdesivir Replication reporter resveratrol SARS-CoV-2 SARS-CoV-2 cell SARS-CoV-2 spike SARS-CoV-2 USA-WA1/2020 SARS-CoV-2 variant screened selective selectivity index small molecule Small molecules stilbenoid stilbenoids USA-WA1/2020 Vaccine variant variants of concern Vero-E6 cell Vero-E6 cells Viral viral entry viral spike VSVΔG [DOI] 10.1128/AAC.00772-21 PMC 바로가기 [Article Type] Antiviral Agents
The Natural Stilbenoid (–)-Hopeaphenol Inhibits Cellular Entry of SARS-CoV-2 USA-WA1/2020, B.1.1.7, and B.1.351 VariantsAntiviral Agents Published on 2021-09-202022-10-27 Journal: Antimicrobial Agents and Chemotherapy [Category] COVID-19, [키워드] ACE2 activity addition analogue Angiotensin-converting enzyme Antiviral Antiviral agents B.1.1.7 B.1.351 binding Compound Concentration coronavirus COVID-19 Cytopathic effect cytotoxicity effective effective inhibitor example expressing Host identify in vitro Infectious virus inhibited inhibitor inhibitory concentration interfere natural natural products pandemic pseudovirus pseudovirus assay RBD receptor Receptor binding domain reduction Remdesivir Replication reporter resveratrol SARS-CoV-2 SARS-CoV-2 cell SARS-CoV-2 spike SARS-CoV-2 USA-WA1/2020 SARS-CoV-2 variant screened selective small molecule stilbenoid stilbenoids USA-WA1/2020 Vaccine variant variants of concern Vero-E6 cell viral entry viral spike [DOI] 10.1128/AAC.00772-21 PMC 바로가기 [Article Type] Antiviral Agents
The Natural Stilbenoid (–)-Hopeaphenol Inhibits Cellular Entry of SARS-CoV-2 USA-WA1/2020, B.1.1.7, and B.1.351 VariantsAntiviral Agents Published on 2021-09-202022-10-27 Journal: Antimicrobial Agents and Chemotherapy [Category] Coronavirus, COVID-19, MERS, SARS, [키워드] ACE2 activity addition analogue Angiotensin-converting enzyme Antiviral Antiviral agents B.1.1.7 B.1.351 binding Compound Concentration coronavirus COVID-19 Cytopathic effect cytotoxicity effective effective inhibitor example expressing Host identify in vitro Infectious virus inhibited inhibitor inhibitory concentration interfere natural natural products pandemic pseudovirus pseudovirus assay RBD receptor Receptor binding domain reduction Remdesivir Replication reporter resveratrol SARS-CoV-2 SARS-CoV-2 cell SARS-CoV-2 spike SARS-CoV-2 USA-WA1/2020 SARS-CoV-2 variant screened selective small molecule stilbenoid stilbenoids USA-WA1/2020 Vaccine variant variants of concern Vero-E6 cell viral entry viral spike [DOI] 10.1128/AAC.00772-21 PMC 바로가기 [Article Type] Antiviral Agents
In vitro selection of Remdesivir resistance suggests evolutionary predictability of SARS-CoV-2remdesivir 저항의 시험 관내 선택 SARS-COV-2의 진화 적 예측 가능성을 시사한다.Research Article Published on 2021-09-172022-08-13 Journal: PLoS Pathogens [Category] SARS, 변종, 유전자 메커니즘, 치료제, [키워드] absence accumulation acting Affect animal model animal models Antiviral antiviral drug approved Author backbone changes in characterisation circulating SARS-CoV-2 variant Clinical management conserved coronavirus COVID-19 patients displaying drug-resistant EIDD2801 Evidence evidence of excess FDA FDA approval Frequency genetics immune immune pressure immune selection implication in vitro indicate low frequency morbidity and mortality mutants Mutation no evidence of not affect Nsp12 nucleoside occurred overcome passage patients polymerase Population predicted provide RDV Remdesivir replication advantage residue resistant mutants responsible risk RNA virus RNA-dependent RNA polymerase SARS-CoV-2 SARS-CoV-2 genome SARS-CoV-2 variant SARS-CoV-2 variants selected sensitivity Sequencing single mutation small molecule Substitution substitutions Surveillance the SARS-CoV-2 genome Transmission Treatment treatment of COVID-19 patients variants of concern Viral viral replication virus viruses widespread worldwide pandemic [DOI] 10.1371/journal.ppat.1009929 PMC 바로가기 [Article Type] Research Article