In silico evaluation of food-derived carotenoids against SARS-CoV-2 drug targets: Crocin is a promising dietary supplement candidate for COVID-19Article Published on 2022-09-012022-11-16 Journal: Journal of food biochemistry [Category] COVID19(2023년), SARS, 변종, [키워드] ADP-ribose antioxidant B.1.351 binding affinity binding energy carotenoid carotenoids clinical trial complex component COVID-19 COVID-19 pandemic crocin dietary supplement dietary supplement candidates docking experiment docking result drug target effective exhibited Favipiravir food-derived carotenoids globe Healthcare system Helicase in silico inhibitors inhibitory effect Inhibitory effects Ivermectin Lineage molecular molecular docking Molecular dynamics simulation multitarget inhibitors. mutant mutant spike protein performed phosphatase Preliminary data Prophylaxis protease provide receptor receptors Remdesivir Replication SARS-CoV-2 SARS-CoV-2 drug Spike protein stability suggested target target protein tested therapy Treatment variants of concern [DOI] 10.1111/jfbc.14219 PMC 바로가기
Single-Nanoparticle-Based Digital SERS Sensing Platform for the Accurate Quantitative Detection of SARS-CoV-2Article Published on 2022-08-312022-11-15 Journal: ACS applied materials & interfaces [Category] SARS, 변종, 치료기술, 치료제, [키워드] acute respiratory syndrome Analysis Beta buffer Concentration concentrations coronavirus Delta detect detection Digital digital SERS Diseases enzyme-linked immunosorbent Gamma generate HEPES limit of detection mutated Mutation omicron platform Prevent provide quantification Quantitative Raman spectroscopy reporters representing SARS-CoV-2 SARS-CoV-2 variant single-nanoparticle detection SNP Spike protein Spread tailorable SERS nanoprobe. target protein the SARS-CoV-2 variants [DOI] 10.1021/acsami.2c07497 PMC 바로가기
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
Discovery of a Phage Peptide Specifically Binding to the SARS-CoV-2 Spike S1 Protein for the Sensitive Phage-Based Enzyme-Linked Chemiluminescence Immunoassay of the SARS-CoV-2 AntigenSARS-CoV-2 항원의 민감한 파지 기반 효소 연결 화학발광 면역분석을 위한 SARS-CoV-2 스파이크 S1 단백질에 특이적으로 결합하는 파지 펩티드의 발견Article Published on 2022-08-232022-09-11 Journal: Analytical Chemistry [Category] SARS, 치료기술, 치료제, [키워드] albumin Amino acid amino acid sequence amplification antigen recognition binding site bovine bovine serum albumin chemiluminescence immunoassay conditions COVID-19 pandemic detect diagnose Dissociation constant Economy Effect exhibited expressing healthcare high affinity hydrogen hydrogen bond network hydrophobic immunoassay Interaction molecular docking N-terminal domain peptide peptides phage probe Protein pseudovirus S1 subunit Saliva SARS-CoV-2 SARS-CoV-2 pseudovirus SARS-CoV-2 S1 SARS-CoV-2 S1 protein selective sensitive sensitivity serum albumin specificity spike Spread supported target target protein the S1 subunit the SARS-CoV-2 transducing transmembrane protein [DOI] 10.1021/acs.analchem.2c01988 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
Identification of 1,2,3-triazole-phthalimide derivatives as potential drugs against COVID-19: a virtual screening, docking and molecular dynamic studyCOVID-19에 대한 잠재적 약물로서의 1,2,3-트리아졸-프탈이미드 유도체 식별: 가상 스크리닝, 도킹 및 분자 역학 연구Article Published on 2022-08-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 치료법, [키워드] 123-triazole addition AMES test Analysis Antiviral be positive binding energy calculated complex Compound derivative derivatives docking drug drug candidate drug candidates E35 energy balance exhibited filtered hepatotoxic identification identify in silico inhibitory Interaction investigated M pro MD simulation molecular molecular docking Nucleocapsid proteins other compound other compounds pharmacokinetic phthalimide positive Predictive Prophylaxis protease SARS-CoV-2 SARS-CoV-2 main protease selected target protein target proteins Toxicity toxicity test Treatment triazole Virtual screening [DOI] 10.1080/07391102.2020.1871073 PMC 바로가기 [Article Type] Article
In-silico study for the screening and preparation of ionic liquid-AVDs conjugate to combat COVID-19 surgeResearch article Published on 2022-08-012022-10-05 Journal: The British journal of oral & maxillofacial surger [Category] 변종, 신약개발, 치료제, [키워드] abacavir acyclovir ADME Analysis Antiviral antiviral activity antiviral drug antiviral drugs binding energy blind caused Combination combination therapy complex conjugate Conjugates COVID-19 death DFT Diseases drug effective greater Ionic liquids MD simulation molecular molecular docking MPro pandemic performed protease recorded SARS-CoV-2 screened stability suggested target protein therapeutic Toxicity was done were used [DOI] 10.1016/j.molliq.2022.119277 [Article Type] Research article
Reveal the Mechanisms of Yi-Fei-Jian-Pi-Tang on Covid-19 through Network Pharmacology Approach네트워크 약리학 접근법을 통해 Covid-19에 대한 Yi-Fei-Jian-Pi-Tang의 메커니즘 공개Article Published on 2022-07-162022-09-11 Journal: Computational Intelligence and Neuroscience [Category] 유전자 메커니즘, [키워드] activated activator Adhesion Molecule AKT AKT1 Alpha Beta binding C-C motif chemokine ligand C-C motif chemokine ligand 2 cancers CASP8 caspase caspase 8 CCL2 chemokine Chinese contribute Corona Critical CXCL8 Cytoscape database demonstrated effective EGFR enhancer enrichment analysis epidermal epidermal growth factor ERBB2 Formula foundation Gene ontology genomes growth factor Herb HIF1a HMOX1 hypoxia ICAM1 IL10 IL1A IL1B IL2 IL4 IL6 ingredient inhibitor inquiry intercellular intercellular adhesion molecule interferon gamma interleukin interleukin 2 Interleukin 4 interleukin 6 JUN KEGG Kyoto Ligand MAPK3 MAPK8 mechanism Medicine mitogen-activated protein kinase MMP1 MMP3 motif MPO myeloperoxidase Necrosis network network pharmacology NFE2 NFE2L2 NFkB NFKBIA nitric oxide nitric oxide synthase NOS3 nuclear oncogene outcome p53 pathway Pathways Patient Pharmacology PPARA Protein protein kinase protein p53 protein-protein interaction receptor RELA Research Serine Stat1 STRING database subunit target target protein targets TCM TGFB1 therapeutic target threonine Timp1 TNF TP53 Traditional Traditional Chinese medicine Transcription transcription factor transforming growth factor Tumor tumor necrosis tumor necrosis factor tyrosine UniProt Virus Disease [DOI] 10.1155/2022/1493137 PMC 바로가기 [Article Type] Article
A Comprehensive Review of Andrographis paniculata (Burm. f.) Nees and Its Constituents as Potential Lead Compounds for COVID-19 Drug DiscoveryCOVID-19 약물 발견을 위한 잠재적인 납 화합물로서 Andrographis paniculata(Burm. f.) Nees 및 그 구성 요소에 대한 포괄적인 검토Review Published on 2022-07-132022-09-11 Journal: Molecules [Category] COVID19(2023년), SARS, 치료제, [키워드] 3CLpro activity Andrographis paniculata Anti-inflammatory anti-inflammatory activity Antiviral antiviral activity argument Asian biological properties clinical trial clinical trials Combination complementary Compound Comprehensive Constituent COVID-19 COVID-19 pandemic COVID-19 treatment Critical demonstrated drug Drug discovery early treatment economics Efficacy global health hACE2 Health immunomodulatory immunomodulatory activity in silico in vitro study Infection information ingredient inhibit lead compound Manifestations natural product pharmacological Placebo Potential Prophylaxis Randomized controlled trial Randomized controlled trials reducing review SARS-CoV-2 severity Side effects Support target protein Treatment treatment for COVID-19 upper respiratory tract upper respiratory tract infection URTI virion production Well-being [DOI] 10.3390/molecules27144479 PMC 바로가기 [Article Type] Review
Identification of phytocompounds as newer antiviral drugs against COVID-19 through molecular docking and simulation based study분자 도킹 및 시뮬레이션 기반 연구를 통한 COVID-19에 대한 새로운 항바이러스 약물로서의 식물 화합물 식별Article Published on 2022-07-012022-09-11 Journal: Journal of molecular graphics & modelling [Category] 변종, 치료제, [키워드] ADMET analysis Analysis antiviral activity antiviral drug antiviral drugs binding affinity complex conformational contagious COVID-19 docking docking score flexibility free energy free energy landscape identification in silico molecular docking molecular dynamic simulation molecular interaction pandemic Phytocompounds. promoted protease reflected screened selected Spike protein stability target protein target proteins variant Variation Viral protein Viral proteins Virtual screening virus was performed was used [DOI] 10.1016/j.jmgm.2022.108192 PMC 바로가기 [Article Type] Article