Synthesis and Biological Evaluation of Honokiol Derivatives Bearing 3-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)oxazol-2(3H)-ones as Potential Viral Entry Inhibitors against SARS-CoV-2Communication Published on 2021-08-312022-10-28 Journal: Pharmaceuticals [Category] COVID-19, [키워드] 2019 coronavirus disease ACE2 ACE2 blocker activities analogue Antiviral antiviral activity antiviral efficacy antiviral molecules Bearing bind binding binding affinity Biological Biosafety Level 3 BLI caused contribute cortex COVID-19 demonstrated derivative develop effective ELISA assay examined Health Honokiol honokiol analogues host cell human Ace2 protein inhibitor inhibitory effect lower binding energy medication molecular docking parental Potential Research SARS-CoV-2 SARS-CoV-2 pseudovirus SARS-CoV-2 spike SARS-CoV-2 viral SARS-CoV-2 virus infection strain synthesis the SARS-CoV-2 virus Viral entry inhibitors [DOI] 10.3390/ph14090885 PMC 바로가기 [Article Type] Communication
β-Carboline alkaloids induce structural plasticity and inhibition of SARS-CoV-2 nsp3 macrodomain more potently than remdesivir metabolite GS-441524: computational approachArticle Published on 2021-08-302022-10-29 Journal: Turkish Journal of Biology [Category] COVID-19, [키워드] β-carboline ADP-ribose ADP-ribosylation analogue anti-SARS-CoV-2 approach binding affinity binding free energy bioinformatics candidate computational approach coronavirus creating database demonstrated docking docking score drug design Glide GS-441524 Host immune response implicated indicated induce Infection Ligand ligands low expression macrodomain macromolecule metabolite modulated Molecular dynamics simulation Nsp3 nsp3 macrodomain parameter Pathogenesis plasticity predicted receptor Remdesivir reported SARS-CoV-2 screened selected small molecule stability the SARS-CoV-2 Toxicity viral replication [DOI] 10.3906/biy-2106-64 PMC 바로가기 [Article Type] Article
Interaction of SARS-CoV-2 spike protein with angiotensin converting enzyme inhibitors and selected compounds from the chemical entities of biological interestResearch Published on 2021-08-252022-10-28 Journal: Beni-Suef University Journal of Basic and Applied Sciences [Category] COVID-19, [키워드] ACE ACE inhibitor ACE2 addition amino acid residue analogue angiotensin converting enzyme bind binding binding affinity binding energy binding interaction Compound COVID-19 outbreak database Drug discovery enzyme flavonoids Host Hydrogen bond Infection inhibitor initial Interaction investigated Ligand Other Protein recent Result retrieved SARS-CoV-2 SARS-CoV-2 spike protein selected Spike protein the disease the SARS-CoV-2 virus the spike protein therapeutic agent treat viral spike protein Virtual screening virus was used [DOI] 10.1186/s43088-021-00138-3 PMC 바로가기 [Article Type] Research
Iterated Virtual Screening-Assisted Antiviral and Enzyme Inhibition Assays Reveal the Discovery of Novel Promising Anti-SARS-CoV-2 with Dual Activity반복된 가상 스크리닝 보조 항바이러스 및 효소 억제 분석은 이중 활성을 가진 새로운 유망한 Anti-SARS-CoV-2의 발견을 보여줍니다Article Published on 2021-08-222022-09-10 Journal: International Journal of Molecular Sciences [Category] MERS, SARS, 치료제, [키워드] activity Affect analogue Analysis anti-SARS-CoV-2 antiviral activity antivirals drug antivirals drugs association best binding binding affinity binding pocket biological activity calculated clinical trials Combination complex Compound compounds COVID-19 Designer docking dual enzyme Enzyme inhibition Enzymes FIVE furin Health in vitro in vitro antiviral activity indicated inhibition inhibition activity iterated virtual screening lead life M pro MPro Methylene Modification molecular docking molecular dynamics Molecular dynamics simulation novel oxadiazole parent replacing safety profile SARS-CoV-2 significantly Structure suggested therapeutic agent therapeutic agents therapy thermodynamic TMPRSS2 Virtual screening was used Zinc zinc oxide [DOI] 10.3390/ijms22169057 PMC 바로가기 [Article Type] Article
“Waste Not, Want Not” — Leveraging Sewer Systems and Wastewater-Based Epidemiology for Drug Use Trends and Pharmaceutical MonitoringPreliminary Research Published on 2021-08-162022-10-30 Journal: Journal of Medical Toxicology [Category] Coronavirus, MERS, SARS, [키워드] aggregation analogue Analysis application Biomarker change COVID-19 disease COVID-19 pandemic develop disorder downstream drug drugs Epidemic Epidemiology fentanyl include manuscript medication metabolites MONITOR monitoring opioids Pathogens pharmaceutical plant powerful tool provide public health Research sewer Sewers Stimulants Surveillance System Treatment trend upstream Want wastewater [DOI] 10.1007/s13181-021-00853-4 PMC 바로가기 [Article Type] Preliminary Research
Cancer Patients’ Willingness to Take COVID-19 Vaccination: A Nationwide Multicenter Survey in KoreaArticle Published on 2021-08-012022-10-31 Journal: Cancers [Category] COVID-19, [키워드] absence analogue Cancer cancer diagnosis cancer patient Cancer patients concerning Coronavirus disease 2019 COVID-19 COVID-19 vaccination COVID-19 vaccine COVID-19 vaccines disease status domains Factor Factors FIVE Gender Health status healthy Hesitancy identify Influenza Korean male malignancy morbidity and mortality multicenter obesity Older age participated Patient physician positively correlated Predictive predictor promote receive recommendation reduced reported SARS-CoV-2 scale simple survey vaccination Vaccine Vaccine hesitancy Visual [DOI] 10.3390/cancers13153883 PMC 바로가기 [Article Type] Article
Putative Repurposing of Lamivudine, a Nucleoside/Nucleotide Analogue and Antiretroviral to Improve the Outcome of Cancer and COVID-19 PatientsOncology Published on 2021-07-212022-10-31 Journal: Frontiers in Oncology [Category] COVID-19, [키워드] 3TC addition analogue anti-SARS-CoV-2 anticancer antiretroviral Antiretrovirals Antiviral Cancer cancer cell carried Cell Chemotherapy Combination COVID-19 COVID-19 pandemic cytidine cytosine docking Effect Effectiveness evaluate Evidence HBV HBV infection hepatitis B HIV HIV positive HIV-1 infection in silico indicated Inflammation inhibit inhibitor lamivudine life-threatening liver Patient patients positive Prevent Radiotherapy RdRP RdRp RNA polymerase receive repurposing RNA polymerase SARS-CoV-2 shown Side effect the SARS-CoV-2 tissues Treatment viral replication virus virus infection [DOI] 10.3389/fonc.2021.664794 PMC 바로가기 [Article Type] Oncology
Receptor Interactions of Angiotensin II and Angiotensin Receptor Blockers—Relevance to COVID-19Article Published on 2021-07-032022-10-28 Journal: Biomolecules [Category] COVID-19, [키워드] absence ACE2 Activation analogue Ang II angiotensin Angiotensin II angiotensin receptor blocker applied ARB ARBs Arg Artery AT1 AT1R binding blocker candesartan carried charge relay system clinical study COVID-19 COVID19 CRS cumulative cytokine determine disease dose Effect energy EXP3174 explain hypertensive patient implicated infected with SARS-CoV-2 negative charge protective effect provided recent receptor reducing SARS-CoV-2 sartans shown therapy Treatment vasoconstriction [DOI] 10.3390/biom11070979 PMC 바로가기 [Article Type] Article
Molecular screening of glycyrrhizin-based inhibitors against ACE2 host receptor of SARS-CoV-2SARS-CoV-2의 ACE2 숙주 수용체에 대한 글리시리진 기반 억제제의 분자 스크리닝Article Published on 2021-06-242022-09-11 Journal: Journal of molecular modeling [Category] SARS, 신약개발, 치료제, [키워드] ACE-2 ACE2 ACE2 receptor analogue angiotensin Angiotensin-converting enzyme angiotensin-converting enzyme 2 Antiviral approach aqueous solution AutoDock average binding binding energy binding free energy binding interactions binding pocket blind blockade complexes Compound compounds conformational change Consistency cut-off demonstrated deslanoside determine digitoxin digoxin docking docking result docking results DrugBank enzyme filtered glycyrrhizin high stability Host host receptor inhibitor Interaction Ligand MMGB/PBSA Molecular simulation molecular simulations performed predicted Protein remained reported RMSD SARS-CoV-2 SARS-CoV-2 spike SARS-CoV-2 spike protein screened similarity Simulation spike Spike protein stability subsequent supported the SARS-CoV-2 Therapeutics these compounds Vaccine development Virtual screening was used [DOI] 10.1007/s00894-021-04816-y PMC 바로가기 [Article Type] Article
Targeting SARS-CoV-2 Polymerase with New Nucleoside AnaloguesArticle Published on 2021-06-072022-10-30 Journal: Molecules [Category] COVID-19, SARS, [키워드] analogue COVID-19 COVID-19 vaccine derivative disease drug effective evaluated FDA-approved drug In vitro assay inhibitory activity New nucleoside nucleoside analogue Nucleoside analogues nucleoside derivatives polymerase quinazoline moiety replaced RNA-dependent RNA polymerase SARS-CoV-2 shown sugar moiety targeting treat [DOI] 10.3390/molecules26113461 PMC 바로가기 [Article Type] Article