Ligand-based discovery of coronavirus main protease inhibitors using MACAW molecular embeddingsArticle Published on 2023-12-012022-11-15 Journal: Journal of Enzyme Inhibition and Medicinal Chemist [Category] 치료제, [키워드] antiviral properties binding affinity cells Cheminformatics Compound compounds conducted coronavirus dataset dose-dependent inhibition drug design Drug discovery evaluate half-maximal inhibitory concentration in silico inhibitor inhibitory effect ligand-based drug design M pro machine learning machine-learning molecular protease Protease inhibitor screened selected thought Toxicity Virtual screening virus infectivity [DOI] 10.1080/14756366.2022.2132486 PMC 바로가기
Integrating in silico and in vivo approach for investigating the role of polyherbal oil in prevention and treatment of COVID-19 infectionArticle Published on 2022-11-012022-11-15 Journal: Chemico-biological interactions [Category] SARS, 변종, 치료제, [키워드] ACE2 Analysis angiotensin-converting enzyme 2 Anti-inflammatory anti-inflammatory activity antiviral drug approach approved combating Compound contribute Control COVID-19 COVID-19 infection COVID-19 patients cytokine Efficacy ELIXIR entry of SARS-CoV-2 expression FDA GC-MS group groups hamster hamsters human host in silico in vivo in-silico Infection inhibiting inhibitory effect investigated Lung injury male membrane molecular docking molecular docking studies new SARS-CoV-2 PCR Polyherbal oil Prophylactic Protective real time receptor reduced respiratory diseases SARS-CoV-2 selected significantly Spike protein the SARS-CoV-2 Therapeutics these compound treat Treatment treatment groups Vaccine variants viral envelope Viral load [DOI] 10.1016/j.cbi.2022.110179 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
Griseofulvin: An Updated Overview of Old and Current KnowledgeArticle Published on 2022-10-182022-11-16 Journal: Molecules [Category] COVID19(2023년), SARS, 신약개발, 유전자 메커니즘, [키워드] ACE2 addition ascomycetes binding cancer cell capillary blood flow Cell contribute current derivative dermatophytic fungi disrupt domain Drug repurposing ENhance explain FDA-approved drug filament protein griseofulvin griseofulvin derivatives gsf gene cluster Hepatitis hepatitis C virus hepatocyte IMPROVE infections information inhibitory effect Inhibitory effects Interaction introduced K18 Liver injury Mallory mechanism metabolite metabolites mitosis molecular docking analysis multifunctional polyketide compound produced RBD RdRP Replication responsible RNA-dependent RNA polymerase rodent SARS-CoV-2 SARS-CoV-2 entry SARS-CoV-2 main protease severity Spike protein spindle microtubule. therapeutic interventions treated Vascular viral replication [DOI] 10.3390/molecules27207034 PMC 바로가기
Comparative Assessment of the Inhibitory Potential of the Herbicide Glyphosate and Its Structural Analogs on RGD-Specific Integrins Using Enzyme-Linked Immunosorbent AssaysArticle Published on 2022-10-172022-11-16 Journal: International Journal of Molecular Sciences [Category] COVID19(2023년), SARS, 치료기술, [키워드] Activation AMPA assessment binding biochemical Cell Comparative demonstrated derivative ECM ELISA enzyme-linked immunosorbent enzyme-linked immunosorbent assay Extracellular matrix fibrinogen glycoprotein glyphosate Herbicide ingredient inhibition inhibitory effect integrin Integrins integrins αVβ3 metabolite metabolites pathway physiological functions Polymer Potential Protein Receptor binding domain SARS-CoV-2 receptor SARS-COV-2 receptor binding domain Spike protein structural analogs the SARS-CoV-2 Total α5β1 αllbβ3. [DOI] 10.3390/ijms232012425 PMC 바로가기
Broad Tricyclic Ring Inhibitors Block SARS-CoV-2 Spike Function Required for Viral EntryArticle Published on 2022-10-142022-11-16 Journal: ACS Infectious Diseases [Category] COVID19(2023년), SARS, 변종, [키워드] ACE2 acute respiratory syndrome affected angiotensin-converting enzyme 2 binding binding pocket block blocked broad inhibitor candidate cell-cell fusion cellular circulating SARS-CoV-2 variant Compound conformational change conserved coronavirus Critical Entry inhibitor entry inhibitors entry pathway facilitate function glycoprotein host cell Infection inhibitory effect interfere mode of action plasma membrane receptor Receptor binding domain required Ring SARS-CoV SARS-CoV-1 SARS-CoV-2 SARS-CoV-2 entry SARS-CoV-2 spike selective significantly Small molecules spike subsequent tested the SARS-CoV-2 these compound Tricyclic Trigger viral entry viral spike [DOI] 10.1021/acsinfecdis.1c00658 PMC 바로가기
In silico evaluation of Philippine Natural Products against SARS-CoV-2 Main ProteaseArticle Published on 2022-10-072022-11-15 Journal: Journal of molecular modeling [Category] COVID19(2023년), SARS, 변종, 치료제, [키워드] Activation acute respiratory syndrome ADME ADMET antiviral drug betweenness Betweenness centrality binding site catalytic dyad Clinical treatment complex coronavirus COVID-19 database docking experiments drugs enzyme highest in silico In silico methods in vitro in vivo inhibitor inhibitory inhibitory effect Ligand molecular docking molecular dynamics MPro mutated variant natural natural products network network analysis offer pandemic Population potential mechanism predicted product protease Protein reported residue responsible risk SARS-CoV-2 severe COVID-19 Spread the SARS-CoV-2 trajectory Vaccine Vaccines viral replication WHO World Health Organization [DOI] 10.1007/s00894-022-05334-1 PMC 바로가기
Nanosponges: An overlooked promising strategy to combat SARS-CoV-2Article Published on 2022-10-012022-11-15 Journal: Drug discovery today [Category] COVID19(2023년), SARS, 치료제, [키워드] acute respiratory syndrome Antiviral Antiviral delivery approach Biological Biological neutralization biosafety complex coronavirus Coronavirus 2019 COVID-19 exhibited in vitro model inactivation inhibitory effect mechanism Nanosponges neutralization SARS-CoV-2 SARS-COV-2 infection therapeutic target translational viral inactivation [DOI] 10.1016/j.drudis.2022.07.015 PMC 바로가기
Promising natural products against SARS-CoV-2: Structure, function, and clinical trialsArticle Published on 2022-10-012022-11-15 Journal: Phytotherapy research : PTR [Category] COVID19(2023년), SARS, 치료제, [키워드] 3CLpro ACE2 activity acute respiratory syndrome addition analyzed antiinflammatory antivirals assessments Breakthrough infection caused clinical trial clinical trials coronavirus Coronaviruses COVID-19 Critical drug drug interaction drugs Effect effective enhancer Health immune Improvements inhibitory effect mechanism Mutation natural products Protein RdRP Research SARS-CoV-2 shown Spread Structure structures Vaccine virus Virus Disease [DOI] 10.1002/ptr.7580 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