Design, synthesis and biological evaluations of niclosamide analogues against SARS-CoV-2SARS-CoV-2에 대한 니클로사미드 유사체의 설계, 합성 및 생물학적 평가Article Published on 2022-05-052022-09-11 Journal: European journal of medicinal chemistry [Category] COVID19(2023년), SARS, 치료제, [키워드] Administered analogue anti-SARS-CoV-2 applied autophagy Bioavailability blocked comparable Compound cytotoxicity Efficacy entry inhibition enzyme exhibited Fluorescence fluorescence microscopy half-life Human plasma hydrogen IMPROVE inhibit liver Microscopy molecular docking niclosamide oral bioavailability Phosphatidylserine Protein protein structure reduction Replication SARS-CoV-2 SARS-CoV-2 virus stability Stability test TMEM16F. was related [DOI] 10.1016/j.ejmech.2022.114295 PMC 바로가기 [Article Type] Article
Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19QSAR, 분자 도킹, 분자 동적 시뮬레이션 및 MM-PBSA의 조합: COVID-19에 대한 잠재적 약물 후보로서 로피나비르 및 파비피라비르의 유사체Article Published on 2022-05-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), SARS, 치료제, [키워드] Absorption active site analogue Analysis anti-viral drug Anti-viral drugs binding affinity candidate Candidates Compound COVID-19 COVID-19 infection COVID-19 infections demonstrated disease distribution docked complex docking drug candidate druggability effective enzyme Enzymes Favipiravir feature form identify IMPROVE in vitro inhibit Interaction less Lopinavir M pro metabolism Modification molecular molecular docking molecular dynamic simulations molecular dynamics Molecular dynamics simulation novel drug physicochemical polyprotein polyproteins processing protease QSAR Quantitative RdRP Replication residue RNA RNA polymerase RNA-dependent RNA polymerase SARS-CoV-2 selected shown significantly small molecule Small molecules Spread stable complex Toxicity trajectory translated Treatment Viral RNA viral RNA-dependent RNA polymerase [DOI] 10.1080/07391102.2020.1850355 PMC 바로가기 [Article Type] Article
Potent Inhibition of SARS-CoV-2 nsp14 N 7-Methyltransferase by Sulfonamide-Based Bisubstrate Analogues설폰아미드 기반 이기질 유사체에 의한 SARS-CoV-2 nsp14 N 7-메틸트랜스퍼라제의 강력한 억제Article Published on 2022-04-282022-09-11 Journal: Journal of medicinal chemistry [Category] COVID19(2023년), SARS, 유전자 메커니즘, [키워드] analogue Antiviral agents cofactor Compound demonstrated docking Enzymes human RNA inhibition inhibitor inhibitory activity Innate immunity involved mechanism of action methyl group molecular docking mRNAs nsp14 nucleoside potent RNA SAM SARS-CoV-2 significantly stability supported synthesis target the SARS-CoV-2 transfer translation Viral RNA virus [DOI] 10.1021/acs.jmedchem.2c00120 PMC 바로가기 [Article Type] Article
Aspulvins A-H, Aspulvinone Analogues with SARS-CoV-2 M pro Inhibitory and Anti-inflammatory Activities from an Endophytic Cladosporium spAspulvins A-H, SARS-CoV-2 M pro 억제 및 항염증 활성을 갖는 Aspulvinone 유사체 내생성 Cladosporium sp에서Review Published on 2022-04-222022-09-11 Journal: Journal of natural products [Category] COVID19(2023년), SARS, 치료제, [키워드] Activation activity acute respiratory syndrome acute respiratory syndrome coronavirus analogue analogues Analysis anti-inflammatory activity candidate Candidates Casp caused Cladosporium cleavage Compound compounds conducted coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 Culture cultures determine IL-1β Infection inflammatory reaction inflammatory reactions inhibit SARS-CoV-2 inhibiting inhibitory activity isolate Lactate lactate dehydrogenase LDH M pro maturation NLRP3 NLRP3 inflammasome occurred protease pyroptosis reduce SARS-CoV-2 SARS-COV-2 infection severe acute respiratory syndrome Coronavirus Structure structures Treatment [DOI] 10.1021/acs.jnatprod.1c01003 PMC 바로가기 [Article Type] Review
Potent Anti-SARS-CoV-2 Activity by the Natural Product Gallinamide A and Analogues via Inhibition of Cathepsin L천연물 갈린아미드 A 및 카텝신 L의 억제를 통한 유사체에 의한 강력한 항-SARS-CoV-2 활성Article Published on 2022-02-242022-09-11 Journal: Journal of medicinal chemistry [Category] COVID19(2023년), SARS, 유전자 메커니즘, 치료제, [키워드] activity analogue analogues Antiviral antiviral activity cathepsin cathepsin L Cathepsins Cell cell entry coronavirus COVID-19 cysteine cysteine protease drug target Efficacy highlight Host host protease in viral in vitro inhibit inhibited inhibition inhibitor involved natural overexpressing potent product protease SARS-CoV-2 SARS-COV-2 infection selectivity Serine serine 2 synergistic These data TMPRSS2 TMPRSS2 inhibitor transmembrane viral entry [DOI] 10.1021/acs.jmedchem.1c01494 PMC 바로가기 [Article Type] Article
Horseradish peroxidase-triggered direct in situ fluorescent immunoassay platform for sensing cardiac troponin I and SARS-CoV-2 nucleocapsid protein in serum혈청에서 심장 트로포닌 I 및 SARS-CoV-2 뉴클레오캡시드 단백질을 감지하기 위한 홀스래디쉬 퍼옥시다제 트리거 직접 제자리 형광 면역분석 플랫폼Article Published on 2022-02-152022-09-11 Journal: Biosensors & bioelectronics [Category] COVID19(2023년), SARS, 치료기술, 치료법, [키워드] adjusted analogue antigens applied Biomarker cardiac cardiac troponin Cardiac troponin I diagnostics Direct dynamic range ELISA enzyme-linked immunosorbent enzyme-linked immunosorbent assay evaluate exhibited fluorescent Fluorescent immunoassay generate group Horseradish horseradish peroxidase immunoassay investigated limit of detection mechanism N-protein nitrogen nucleocapsid protein Oxidation p-Phenylenediamine PEI peroxidase platform Protein Rapid reported SARS-CoV-2 N protein SARS-CoV-2 nucleocapsid SARS-CoV-2 nucleocapsid protein scavenger serum troponin I Wavelength-tunable. [DOI] 10.1016/j.bios.2021.113823 PMC 바로가기 [Article Type] Article
Molecular Docking and Molecular Dynamics Simulations Discover Curcumin Analogue as a Plausible Dual Inhibitor for SARS-CoV-2Article Published on 2022-02-042022-10-29 Journal: International Journal of Molecular Sciences [Category] COVID-19, COVID19(2023년), SARS, [키워드] activities addition analogue anticancer Antiviral binding binding affinity binding pocket Cancer Compound compounds COVID-19 Curcumin DDX3 demonstrated deviation disease dual inhibitor Dynamics effective Essential global pandemic hydrogen bond interactions inhibitor inhibitory activity Interaction main protease MDs molecular Molecular dynamics simulation natural compound analogues radius of gyration residue retrieved RMSD SARS-CoV-2 SARS-CoV-2 main protease shown Simulation stability [DOI] 10.3390/ijms23031771 PMC 바로가기 [Article Type] Article
Identification of Potential Antiviral Inhibitors from Hydroxychloroquine and 1,2,4,5-Tetraoxanes Analogues and Investigation of the Mechanism of Action in SARS-CoV-2Article Published on 2022-02-042022-10-29 Journal: International Journal of Molecular Sciences [Category] COVID-19, COVID19(2023년), SARS, [키워드] 6M0J ACE2 receptor Action analogue antimalarial Antiviral binding affinity biological activity carcinogenicity compounds COVID-19 database evaluated FIVE identification identify in vitro in vivo inhibitor Interaction intestinal investigated investigation mechanism of action molecular molecular docking molecular docking studies MPro PDB penetration pharmacokinetic Potential protease inhibitors receptor Receptor-binding domain risk SARS-CoV-2 selected Structure structures Virtual screening was performed was used were used [DOI] 10.3390/ijms23031781 PMC 바로가기 [Article Type] Article
Impact of the lockdown period due to the COVID-19 pandemic in patients with inflammatory bowel diseaseObservational Study Published on 2022-02-012022-10-05 Journal: Gastroenterología y hepatología [Category] 임상, [키워드] adherence Adherencia terapéutica analogue analyzed bowel carried coronavirus disease COVID-19 COVID-19 pandemic Descriptive analysis disorders emotional Enfermedad inflamatoria intestinal English Estrés percibido Factor high risk IBD Impact increase in Inflammatory bowel disease intestinal lockdown Logistic regression media median multivariate analyses Pandemia pandemic Patient Perceived Perceived stress Perceived Stress Scale-10 prospectivo PSS-10 PSS-10 score PSS-10 scores Psychological distress quarantine questionnaire reported SARS-CoV-2 scale Spain Spaniard Spanish Stress Symptoms therapeutic therapeutic adherence Treatment Visual women [DOI] 10.1016/j.gastrohep.2021.03.012 PMC 바로가기 [Article Type] Observational Study
Apigenin analogues as SARS-CoV-2 main protease inhibitors: In-silico screening approachSARS-CoV-2 주요 프로테아제 억제제로서의 아피게닌 유사체: 인-실리코 스크리닝 접근법Article Published on 2022-02-012022-09-11 Journal: Bioengineered [Category] COVID19(2023년), SARS, 변종, 신약개발, 치료제, [키워드] ADME analogue analogues anti-SARS-CoV-2 Antiviral apigenin apigenin analogues approach binding binding energy boceprevir Characteristics COVID-19 docking Drug discovery drug target evaluated exhibit glucoside hydrogen hydrogen bonds hydrophobic hydrophobic interactions indicated inhibitor inhibitors Interaction M pro molecular docking parameter protease residue residues SARS-CoV SARS-CoV-2 SARS-CoV-2 main protease sequence Sequence alignment sequence homology sequence identity Spread Treatment variant [DOI] 10.1080/21655979.2022.2027181 PMC 바로가기 [Article Type] Article