Exploration of Microbially Derived Natural Compounds against Monkeypox Virus as Viral Core Cysteine Proteinase InhibitorsArticle Published on 2023-01-162023-06-09 Journal: Viruses [Category] Fulltext, 원숭이두창, [키워드] antivirals molecular dynamics Monkeypox virus natural products Virtual screening [DOI] 10.3390/v15010251 PMC 바로가기
Computer-aided drug design for the pain-like protease (PL pro ) inhibitors against SARS-CoV-2Article Published on 2023-01-162024-09-05 Journal: Biomedicine & pharmacotherapy = Biomédecine & phar [Category] update2024, [키워드] molecular docking SARS-CoV-2 Virtual screening [DOI] 10.1016/j.biopha.2023.114247 PMC 바로가기 [Article Type] Article
Exploration of Novel Lichen Compounds as Inhibitors of SARS-CoV-2 Mpro: Ligand-Based Design, Molecular Dynamics, and ADMET AnalysesArticle Published on 2022-12-012023-07-10 Journal: Applied biochemistry and biotechnology [Category] COVID19(2023년), [키워드] Drug likeness molecular docking molecular dynamics SARS-CoV-2 Mpro Virtual screening [DOI] 10.1007/s12010-022-04103-3 PMC 바로가기
Identification of potent compounds against SARs-CoV-2: An in-silico based drug searching against MproArticle Published on 2022-12-012023-07-10 Journal: Computers in biology and medicine [Category] COVID19(2023년), [키워드] COVID-19 Molecular docking and simulation MPro Synthetic compounds Virtual screening [DOI] 10.1016/j.compbiomed.2022.106284 PMC 바로가기
Virtual screening of quinoline derived library for SARS-COV-2 targeting viral entry and replicationArticle Published on 2022-11-012022-11-15 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 치료제, [키워드] added antibiotic antimalarial Antiviral approved binding domain Bruton tyrosine kinase inhibitors China claimed contagious Control country COVID-19 pandemic Dependent disease domain drug drug design FDA in viral in-depth analysis increase Infection inhibiting inhibitor Interaction interfere M pro MD simulation number of infected outbreak Papain Population protease provide Psychological distress quinoline based FDA approved Drugs. RBD Remdesivir Replication required resource RNA RNA dependent RNA polymerase RNA polymerase RNA virus SARS-CoV-2 selected Spike protein spread to target Vaccines viral entry viral replication Virtual screening [DOI] 10.1080/07391102.2021.1913228 PMC 바로가기
Lucidenic acid A inhibits the binding of hACE2 receptor with spike protein to prevent SARS-CoV-2 invasionArticle Published on 2022-11-012022-11-15 Journal: Food and chemical toxicology : an international jo [Category] SARS, 변종, 치료제, [키워드] analyzed anti-SARS-CoV-2 antiviral effects binding caused complexes component components demonstrated exhibit FRET test Ganoderma lucidum triterpenoids hACE2 hACE2 receptor high affinity hydrogen bonds IC50 in vitro Infection inhibit inhibited inhibition assay Invasion Lucidenic acid A (PubChem CID: 14109375) molecular docking molecular dynamics Mutation natural natural products omicron Omicron variant pathway Potential Prevent PubChem receptor receptor proteins SARS-CoV-2 Spike protein stability target variant Virtual screening virus was selected were used [DOI] 10.1016/j.fct.2022.113438 PMC 바로가기
Multi-target mechanisms against coronaviruses of constituents from Chinese Dagang Tea revealed by experimental and docking studies실험 및 도킹 연구를 통해 밝혀진 중국 Dagang Tea 성분의 코로나바이러스에 대한 다중 표적 메커니즘Article Published on 2022-10-282022-09-11 Journal: Journal of ethnopharmacology [Category] COVID19(2023년), SARS, 치료제, [키워드] Analysis antibody antiviral activity Antiviral effect betulinic acid Chemical profile China Chinese Cold colds Compound coronavirus Coronaviruses CPE Cytopathic effect demonstrated docking docking analysis docking study Efficacy enzyme Enzyme inhibition eriodictyol Eurya evaluated exhibited experiment Fever fevers flavonoids Guangdong HCoV-OC43 herbal tea immunofluorescence in vitro infected cells Influenza inhibitory effect Inhibitory effects material mechanism Microscopic monomer naringenin OC43 optical performed PLPro Potential treatment potential treatments Prevent quercetin reduction SARS-CoV-2 tea Traditional Chinese medicine transmission electron microscopy treat Treatment viral infections Virtual screening virus particle virus particles [DOI] 10.1016/j.jep.2022.115528 PMC 바로가기 [Article Type] Article
[Virtual screening of active ingredients of traditional Chinese medicine in treating COVID-19 based on molecular docking and molecular dynamic simulation]Article Published on 2022-10-252023-07-10 Journal: Sheng wu yi xue gong cheng xue za zhi = Journal of biomedical engineering = [Category] COVID19(2023년), [키워드] COVID-19 molecular docking molecular dynamics simulations traditional Chinese medicines Virtual screening Xambioona. [DOI] 10.7507/1001-5515.202205021
The Discovery of Small Allosteric and Active Site Inhibitors of the SARS-CoV-2 Main Protease via Structure-Based Virtual Screening and Biological EvaluationArticle Published on 2022-10-092022-11-15 Journal: Molecules [Category] COVID19(2023년), SARS, 유전자 메커니즘, 치료제, [키워드] Allosteric inhibitor aryl nitrile assessments binding Biological candidate carried Characteristics Compound COVID-19 COVID-19 treatments docking enzyme inhibitor Ligand M pro mechanism medium MPro protease SARS-CoV-2 Screening selected Site Structure-based virtual screening suggested target the SARS-CoV-2 Treatment Virtual screening [DOI] 10.3390/molecules27196710 PMC 바로가기
Cotton flower metabolites inhibit SARS-CoV-2 main proteaseArticle Published on 2022-10-012022-11-15 Journal: FEBS Open Bio [Category] COVID19(2023년), SARS, 변종, 치료제, [키워드] acute respiratory syndrome anti-SARS-CoV-2 Antiviral assays biochemical biochemical assay contagious coronavirus cotton cotton flower database disease drugs effective examined exhibited half-maximal inhibitory concentration IC50s identify in vitro inhibit SARS-CoV-2 inhibited inhibitor inhibitory effect M pro main protease metabolite protease Protein safety profile SARS-CoV-2 significantly Spread tissue Treatment Vaccine variants Virtual screening [DOI] 10.1002/2211-5463.13477 PMC 바로가기