Insights from computational studies on the potential of natural compounds as inhibitors against SARS-CoV-2 spike omicron variantArticle Published on 2022-12-012023-07-11 Journal: SAR and QSAR in environmental research [Category] COVID19(2023년), [키워드] ADMET COVID-19 MDs natural compounds Omicron variant [DOI] 10.1080/1062936X.2022.2152486
Identification of doxorubicin as a potential therapeutic against SARS-CoV-2 (COVID-19) protease: a molecular docking and dynamics simulation studiesArticle Published on 2022-10-012022-11-16 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), SARS, 신약개발, [키워드] 6LU7 amino acid residue Analysis analyzed Antibiotics Antiviral antiviral drugs AutoDock binding energy caused complex complexes conducted COVID-19 COVID-19 disease COVID-19 pandemic docking Doxorubicin drug drug target host cell identification in silico in viral inhibit Interaction lowest MDs molecular docking Molecular dynamics simulation Prevent protease Protease inhibitor remained Replication residue RMSD RMSF SARS-CoV-2 Scientific community Simulation study stability suggested therapeutic virus [DOI] 10.1080/07391102.2021.1905551 PMC 바로가기
Repurposing drugs and identification of inhibitors of integral proteins (spike protein and main protease) of SARS-CoV-2SARS-CoV-2의 필수 단백질(스파이크 단백질 및 주요 프로테아제) 억제제의 용도 변경 및 식별Article Published on 2022-09-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 신약개발, [키워드] Analysis binding energy Cefoperazone Clinical use Compound Coronavirus infection COVID-19 docked domain drug effort EGCG Emergency exhibited FIVE glycoprotein GRN HCQ Hydroxychloroquine identify Infection inhibitor inhibitors inhibitors of SARS-CoV-2 Inhibitory effects Lopinavir LPV M pro main protease enzyme MDs molecular molecular docking molecular dynamic simulations MPro nelfinavir outbreak predicted protease Protein Public public health emergency RBD RDV Receptor-binding domain recorded Remdesivir repurposing SARS-CoV SARS-CoV-2 SARS-CoV-2 spike protein screened spike (S) glycoprotein Spike protein were used WHO World Health Organisation Zafirlukast [DOI] 10.1080/07391102.2021.1886993 PMC 바로가기 [Article Type] Article
Antibody responses to SARS-CoV-2 vaccination in patients with acute myeloid leukaemia and high risk MDS on active anti-cancer therapies활성 항암 요법에 대한 급성 골수성 백혈병 및 고위험 MDS 환자에서 SARS-CoV-2 백신 접종에 대한 항체 반응Article Published on 2022-08-012022-09-12 Journal: British Journal of Haematology [Category] COVID19(2023년), MERS, SARS, 진단, [키워드] Anti-cancer therapy Antibody Response high risk MDs Patient SARS-CoV-2 vaccination [DOI] 10.1111/bjh.18248 PMC 바로가기 [Article Type] Article
Applying high throughput and comprehensive immunoinformatics approaches to design a trivalent subunit vaccine for induction of immune response against emerging human coronaviruses SARS-CoV, MERS-CoV and SARS-CoV-2새로운 인간 코로나바이러스 SARS-CoV, MERS-CoV 및 SARS-CoV-2에 대한 면역 반응 유도를 위한 3가 서브유닛 백신을 설계하기 위해 높은 처리량 및 포괄적인 면역정보학 접근법 적용Article Published on 2022-08-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 치료법, [키워드] acute respiratory syndrome added adjuvant against SARS-CoV Analysis Antigen antigens applied Applying approach B-cell binding affinity codon optimization complex conducted coronavirus disease Coronavirus disease 2019 CoV COVID-19 CoVs CTL defensin demonstrated disease docking epitope Epitopes facilitate HLA HTL HTLs human coronavirus IEDB IFN IFN-γ immune response immune responses immunogenic immunoinformatics In silico cloning increased expression kDa MDs membrane MERS MERS-CoV MERS‐CoV MHC I Middle East Middle East respiratory syndrome molecular dynamics Molecular dynamics simulation molecular weight molecule Multi-epitope vaccine non-allergenic non-structural protein nucleocapsid PADRE Pan predicted Protein responses SARS-CoV SARS-CoV-2 SARS‐CoV secondary selected epitope sequence sequences Severe acute respiratory syndrome stability stimulate Structure subunit Subunit vaccine syndrome T lymphocyte TAT the vaccine trivalent Vaccine was used β-defensin [DOI] 10.1080/07391102.2021.1876774 PMC 바로가기 [Article Type] Article
Humoral response to mRNA-based COVID-19 vaccine in patients with myeloid malignancies골수성 악성종양 환자에서 mRNA 기반 코로나19 백신에 대한 체액 반응Article Published on 2022-06-012022-09-12 Journal: British Journal of Haematology [Category] COVID19(2023년), MERS, SARS, 진단, [키워드] acute myeloid leukaemia AML Anti-spike Antibody titre appear comparable COVID-19 COVID-19 vaccine disease HCs healthy control humoral Humoral response Infection lymphoid malignancies malignancy MDs mRNA-based mRNA-based COVID-19 vaccine myelodysplastic syndrome. myeloid malignancies myeloid malignancy no significant difference Patient patients risk SARS-CoV-2 SARS-CoV-2 antibody titre SARS-CoV-2 vaccine significantly lower syndrome therapy Treatment vaccination Vaccine were measured [DOI] 10.1111/bjh.18138 PMC 바로가기 [Article Type] Article
Computational investigation of binding of chloroquinone and hydroxychloroquinone against PLPro of SARS-CoV-2SARS-CoV-2의 PLPro에 대한 클로로퀴논과 하이드록시클로로퀴논의 결합에 대한 전산 조사Article Published on 2022-04-012022-09-11 Journal: Journal of biomolecular structure & dynamics [Category] COVID19(2023년), SARS, 신약개발, 치료제, [키워드] Amino acid amino acid residue anticipated approved binding binding affinity carried Chloroquine cleavage complex conformational coronavirus SARS-CoV-2 COVID-19 docked drug target effective Epidemic FDA FDA approved drug HCQ Hydroxychloroquine identify Immune suppression inhibitor inhibitors of SARS-CoV-2 integrity involved MDs mechanism mechanism of action molecular molecular docking molecular dynamics Molecular dynamics simulation molecular dynamics simulations molecular target Mortality MPro novel Novel coronavirus pandemic Papain PLPro polyprotein processing protease repurposing rising SARS-CoV-2 SARS-CoV2 Simulation study the SARS-CoV-2 therapeutic interventions therapeutic targeting [DOI] 10.1080/07391102.2020.1844804 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
Components of the Mediterranean Diet and Risk of COVID-19Nutrition Published on 2022-01-242022-10-31 Journal: Frontiers in Nutrition [Category] COVID-19, [키워드] adherence assigned association Cohort component COVID-19 Cutoff dairy products detrimental diet element elements fat fatty acids food groups index Infection MDs median Mediterranean diet moderate nine Nurses participant protective effect questionnaire receive replacing risk risk of COVID-19 SARS-CoV-2 saturated severe COVID-19 significant decrease statistical analyses SUN project Symptom symptomatic symptoms of COVID-19 the median [DOI] 10.3389/fnut.2021.805533 PMC 바로가기 [Article Type] Nutrition
Incidence of myeloid neoplasms in Spain (2002–2013): a population-based study of the Spanish network of cancer registriesArticle Published on 2022-01-102022-10-04 Journal: Scientific Reports [Category] 바이오마커, [키워드] calculated Cancer Comprehensive Epidemiology estimate expected hematological cancer highlight incidence incidence rate leukemia Lineage MDs Myelodysplastic syndrome Myeloproliferative disease myeloproliferative neoplasm neoplasm NOS public health authorities robust Spain Spanish subtype the WHO These data Variability [DOI] 10.1038/s41598-021-03734-6 PMC 바로가기 [Article Type] Article