In silico identification and validation of natural antiviral compounds as potential inhibitors of SARS-CoV-2 methyltransferaseSARS-CoV-2 메틸트랜스퍼라제의 잠재적 억제제로서의 천연 항바이러스 화합물의 실리코(in silico) 식별 및 검증Article Published on 2022-09-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] Coronavirus, SARS, 치료제, [키워드] acute respiratory syndrome coronavirus amentoflavone Analysis analyzed Antiviral agents Antiviral compounds Antiviral natural compounds approach baicalin binding mechanism caused complex Compound coronavirus 2 coronavirus disease Coronavirus disease 2019 COVID-19 COVID-19 treatment Daidzin docking Effect In silico methods indicated inhibit inhibitor inhibitors of SARS-CoV-2 Interaction MD simulation methyltransferase molecular molecular docking molecular dynamic simulation. molecular dynamics Molecular dynamics simulation MTase natural antiviral Novel coronavirus novel coronavirus disease offer outbreak parameter Probability resource respiratory SARS-CoV-2 selected severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 stability Substitution the SARS-CoV-2 therapeutic Therapeutics these compound these compounds Trajectories treat Treatment treatment of COVID-19 unavailability vaccination Virtual screening was performed [DOI] 10.1080/07391102.2021.1886174 PMC 바로가기 [Article Type] Article
Butein as a potential binder of human ACE2 receptor for interfering with SARS-CoV-2 entry: a computer-aided analysisSARS-CoV-2 진입을 방해하기 위한 인간 ACE2 수용체의 잠재적 결합제로서의 부테인: 컴퓨터 지원 분석Article Published on 2022-08-242022-09-11 Journal: Journal of molecular modeling [Category] SARS, 치료제, [키워드] ACE2 acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 Analysis angiotensin antiviral activity atomic level Butein clinical trials Compound coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 demonstrated dietary supplement drug candidate effective examined hACE-2. hACE2 hACE2 receptor herbal compound herbal compounds host cell host cells human ACE2 receptor human Angiotensin-converting enzyme In silico methods Infection infections Interaction interfere molecular molecular docking molecular dynamics Molecular modeling natural natural products pathogen Pathogens physicochemical Phytoconstituents profile receptor Recognition researcher SARS-CoV-2 screened selected severe acute respiratory syndrome Coronavirus shown Spike protein subset target protein therapeutic these compound these compounds viral entry viral particle Viral particles zoonotic [DOI] 10.1007/s00894-022-05270-0 PMC 바로가기 [Article Type] Article
Identification and Inhibition of the Druggable Allosteric Site of SARS-CoV-2 NSP10/NSP16 Methyltransferase through Computational Approaches컴퓨터 접근을 통한 SARS-CoV-2 NSP10/NSP16 메틸트랜스퍼라제의 약물 가능 알로스테릭 부위의 식별 및 억제Article Published on 2022-08-172022-09-11 Journal: Molecules [Category] SARS, 변종, [키워드] affected allosteric site antagonistic action assessment binding free energy caused Complexes Compound COVID-19 COVID-19 pandemic Drug discovery drug library effort enzyme evaluated exhibited Health Host identification Infectious virus inhibition inhibitor inhibitors life life cycle methyl transferase methyltransferase molecular molecular docking molecular dynamics Molecular dynamics simulation molecular interaction Perspective proliferation PROTECT Research robust SARS-CoV-2 SARS-CoV-2 life cycle screened Simulation Simulation. Site stability target the SARS-CoV-2 these compound these compounds variants Viral RNA was performed [DOI] 10.3390/molecules27165241 PMC 바로가기 [Article Type] Article
Selection of Bis-Indolyl Pyridines and Triphenylamines as New Inhibitors of SARS-CoV-2 Cellular Entry by Modulating the Spike Protein/ACE2 Interfaces스파이크 단백질/ACE2 인터페이스를 조절하여 SARS-CoV-2 세포 진입의 새로운 억제제로서 비스-인돌릴 피리딘 및 트리페닐아민 선택Article Published on 2022-08-162022-09-11 Journal: Antimicrobial Agents and Chemotherapy [Category] COVID19(2023년), SARS, 변종, [키워드] 50% effective concentration ACE2 acute respiratory syndrome acute respiratory syndrome coronavirus approaches association biochemical caused Cell cell lines cellular cellular receptor circulating circulating variant complex Compound coronavirus coronavirus disease COVID COVID-19 docking drug functional human cell lines identify in silico indicate Infection infectious agent inhibit inhibitor inhibitory inhibitory effect Interaction interface Lentiviral vector lentiviral vectors modulating molecular molecules New pandemic parameter pseudotyped pyridine receptor ACE2 S protein SARS-CoV-2 SARS-CoV-2 entry SARS-CoV-2 S protein SARS-CoV-2 strain screened selected Selection severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 spike susceptible the SARS-CoV-2 the Spike therapeutic purposes these compound these compounds triphenylamine variant viral entry viral entry. viral infection viral replication virus wild-type [DOI] 10.1128/aac.00083-22 PMC 바로가기 [Article Type] Article
PIKfyve-specific inhibitors restrict replication of multiple coronaviruses in vitro but not in a murine model of COVID-19PIKfyve 특정 억제제는 시험관 내에서 여러 코로나바이러스의 복제를 제한하지만 COVID-19의 쥐 모델에서는 제한하지 않습니다Article Published on 2022-08-122022-09-11 Journal: Communications Biology [Category] 비임상, 임상, 치료기술, 치료법, 치료제, [키워드] antiviral activity apilimod approved authorization cell line claimed Community Compound COVID-19 COVID-19 pandemic disease Efficacy effort Emergency Emergency use authorization Healthcare systems human coronaviruses in vitro inhibitor Medical countermeasures multiple coronaviruses murine model nucleoside pandemic Paxlovid phase PIKfyve PIKfyve inhibitor prophylactically Protease inhibitor Remdesivir Replication Research restrict small molecule tested the United State therapeutic Therapeutics these compound these compounds Treatment Trial trials United States Vaccine writing [DOI] 10.1038/s42003-022-03766-2 PMC 바로가기 [Article Type] Article
Bioactive potentiality of secondary metabolites from endophytic bacteria against SARS-COV-2: An in-silico approachSARS-COV-2에 대한 내생 세균의 2차 대사 산물의 생리 활성 가능성: In-silico 접근Article Published on 2022-08-042022-09-11 Journal: PLoS ONE [Category] SARS, 치료기술, 치료제, [키워드] 3CLpro accelerate accession number aligned ammonia analyses Analysis analyzed antioxidant approach associations Bacillus Bacteria Bacterial biochemically chymotrypsin Chymotrypsin-like protease collected Compound computational tool coronavirus Culture docked docking scores drug-likeness effective enzyme flask culture flavonoid GenBank identify in silico analysis in-silico inhibitor Interaction isolate Lopinavir metabolite metabolites Micrococcus morphologically nine NMR nucleotide nucleotide sequence outcome performed phytohormone plant profiles protease protein-protein network protein-protein networks protocol Pseudomonas species rDNA reported Research Sanger sequencing Secondary Metabolite sequence similarity Staphylococcus structures submission target protein target proteins tested these compounds was performed were assessed [DOI] 10.1371/journal.pone.0269962 PMC 바로가기 [Article Type] Article
Impact of Azithromycin on Forsythiaside Pharmacokinetics in Rats: A Population Modeling Method쥐의 포시티아사이드 약동학에 대한 아지스로마이신의 영향: 집단 모델링 방법Article Published on 2022-08-012022-09-11 Journal: Current medical science [Category] 치료제, [키워드] administration Analysis antibacterial activity Antiviral antivirals Azithromycin bootstrap China Chinese clearance collected Combination compartment model Concentration control group Corona corona virus disease 2019 COVID-19 decrease described determine drug interaction drug treatment experimental group Final Forsythia forsythiaside Glucose half-life high-performance liquid chromatography Impact in vivo Interaction LianhuaQingwen Liquid chromatography lower dose male modeling Non-compartmental analysis pediatric pharmacokinetic pharmacokinetics plasma plasma samples Pneumonia Population randomly divided reason significantly single dose suggested these compound these compounds Traditional Chinese medicine traditional Chinese medicine. Treatment ultraviolet Virus Disease Visual was used were used [DOI] 10.1007/s11596-022-2596-2 PMC 바로가기 [Article Type] Article
Inhibition of a broad range of SARS-CoV-2 variants by antiviral phytochemicals in hACE2 micehACE2 마우스에서 항바이러스 식물화학물질에 의한 광범위한 SARS-CoV-2 변이체의 억제Article Published on 2022-08-012022-09-11 Journal: Antiviral Research [Category] COVID19(2023년), SARS, 변종, 치료제, [키워드] anti-inflammatory activity Antiviral antiviral activity antiviral drug antiviral drugs antiviral therapy attenuate Chlorella Chromatography Compound COVID-19 vaccines demonstrated Evolution Genetic Guava hACE2 host immune system in some in vivo inhibition Intervention mice new SARS-CoV-2 plant prevention of COVID-19 proinflammatory Prophylactics Psidium Region responses resulting SARS-CoV-2 SARS-CoV-2 strain SARS-CoV-2 variant SARS-CoV-2 variants significantly these compound these compounds Treatment Vaccine variant variants variants. viral clearance [DOI] 10.1016/j.antiviral.2022.105371 PMC 바로가기 [Article Type] Article
Phytochemical Discrimination, Biological Activity and Molecular Docking of Water-Soluble Inhibitors from Saussurea costus Herb against Main Protease of SARS-CoV-2SARS-CoV-2의 주요 프로테아제에 대한 Saussurea costus Herb의 수용성 억제제의 식물화학적 판별, 생물학적 활성 및 분자 도킹Article Published on 2022-08-012022-09-11 Journal: Molecules [Category] SARS, 변종, [키워드] activity andrographolide ATCC Bacterial binding affinity Bioavailability Biological biological activity carbohydrate carbohydrates carboxylic acid catalytic dyad Cell cell entry Compound coronavirus coronavirus SARS-CoV-2 costus COVID-19 Cys145 D614G variant Delta discrimination docked Escherichia coli event Fatty acid fatty acids FIVE followed by Gamma gas chromatography Gas Chromatography-Mass Spectrometry GC-MS GC-MS profiling Herb His41 HSV-1 virus inhibit inhibitor inhibitory effect investigated M pro main protease mass spectrometry medical system molecular docking molecular docking. phytochemical preference prevalent protease Protein pseudovirus ranged residue room temperature SARS-CoV-2 SARS-CoV-2 entry Saussurea Saussurea costus Siddha spike Spike proteins Staphylococcus aureus Sterol Strains tannin tannins temperature these compounds variant virucidal virus VoC water [DOI] 10.3390/molecules27154908 PMC 바로가기 [Article Type] Article
Dual Inhibition of Vacuolar-ATPase and TMPRSS2 Is Required for Complete Blockade of SARS-CoV-2 Entry into CellsSARS-CoV-2 세포로의 진입을 완전히 차단하려면 Vacuolar-ATPase 및 TMPRSS2의 이중 억제가 필요합니다Article Published on 2022-07-192022-09-11 Journal: Antimicrobial Agents and Chemotherapy [Category] COVID19(2023년), SARS, 유전자 메커니즘, [키워드] absence Activation acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus 2 ATPase bafilomycin block viral entry camostat cathepsin inhibitor Cathepsins Cell cellular Compound coronavirus E64d Efficacy endosomal pH endosomal protease endosome expressing highlight host cell host protease host proteases Hydroxychloroquine identify implicated Infection inhibit inhibiting inhibition inhibitor inhibitors Intervention life cycle Macrolide maturation mechanisms membrane fusion molecules Neutralizing nonspecific Pathways pharmacological agent Prevent protease Protein proteolytic activation provide pseudotyped rationale S protein SARS SARS-CoV-2 SARS-CoV-2 entry SARS-COV-2 infection Serine serine 2 serine proteases severe acute respiratory syndrome Coronavirus synergy the S protein these compound these compounds TMPRSS2 TMPRSS2 inhibitor TMPRSS2-expressing cells toxicities Toxicity transmembrane V-ATPase viral entry viral spike virus virus. [DOI] 10.1128/aac.00439-22 PMC 바로가기 [Article Type] Article