Molecular Binding Mechanism and Pharmacology Comparative Analysis of Noscapine for Repurposing against SARS-CoV-2 ProteaseArticle Published on 2020-11-062023-07-12 Journal: Journal of Proteome Research [Category] SARS, [키워드] COVID-19 Drug repurposing molecular dynamics simulation molecular docking. SARS-CoV-2 [DOI] 10.1021/acs.jproteome.0c00367
Challenges for Drug Repurposing in the COVID-19 Pandemic EraPharmacology Published on 2020-11-062022-10-31 Journal: Frontiers in Pharmacology [Category] COVID-19, [키워드] affected caused challenge clinical clinical trials concerning coronavirus coronavirus disease COVID-19 death disease drug drug repositioning Drug repurposing drugs Evidence identify Interpretation knowledge pandemic pharmacological Registered Regulatory repurposing Support targets Treatment [DOI] 10.3389/fphar.2020.588654 PMC 바로가기 [Article Type] Pharmacology
Repurpose Open Data to Discover Therapeutics for COVID-19 Using Deep LearningArticle Published on 2020-11-062023-07-12 Journal: Journal of Proteome Research [Category] SARS, [키워드] COVID-19 deep learning Drug repurposing Knowledge graph representation learning. SARS-CoV-2 [DOI] 10.1021/acs.jproteome.0c00316 PMC 바로가기
Structural Insights into the Binding Modes of Viral RNA-Dependent RNA Polymerases Using a Function-Site Interaction Fingerprint Method for RNA Virus Drug DiscoveryArticle Published on 2020-11-062023-07-12 Journal: Journal of Proteome Research [Category] SARS, [키워드] COVID-19 Drug repurposing drug virtual screening function-site interaction fingerprint protein−ligand interaction fingerprint RNA virus RNA-dependent RNA polymerase (RdRp) SARS-CoV-2 structural RDRP data set Structure-based drug design [DOI] 10.1021/acs.jproteome.0c00623 PMC 바로가기
Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs530 Published on 2020-11-032022-10-29 Journal: Proceedings of the National Academy of Sciences of [Category] COVID-19, MERS, SARS, [키워드] accelerated acute respiratory syndrome antiviral agent approach binding free energy caused Chloroquine clinical study Computational methods conducted coronavirus COVID-19 COVID-19 pandemic demonstrated disease distribution drug drug library Drug repurposing drugs drugs targeting effort experimental validation free energy perturbation Hydroxychloroquine identify inhibit SARS-CoV-2 inhibitor inhibitors of SARS-CoV-2 inhibitory M pro main protease other disease outcome patients with COVID-19 predicted protease SARS-CoV-2 SARS-CoV-2 main protease selected drug shown Significance therapeutic effect Therapeutic treatment threshold treat Treatment Virtual screening [DOI] 10.1073/pnas.2010470117 PMC 바로가기 [Article Type] 530
Drug repurposing of anti-infective clinical drugs: Discovery of two potential anti-cytokine storm agentsShort communication Published on 2020-11-012022-10-05 Journal: Biomedicine & pharmacotherapy = Biomédecine & phar [Category] 신약개발, [키워드] acute lung injury acute respiratory distress syndrome addition anti-cytokine storm ARDSacute respiratory distress syndrome BALFbronchoalveolar lavage fluid Bronchoalveolar lavage fluid candidate caused CCL-5chemokine (C-C motif) ligand 5 chemokine (C-C motif) ligand 5 Coronavirus disease 2019 COVID-19 COVID-19coronavirus disease 2019 CSS CSScytokine storm syndrome CXC chemokine ligand 1 CXCL1CXC chemokine ligand 1 Cytokine storm syndrome drug drug library Drug repurposing effective entecavir FDAU.S. Food and Drug Administration G-CSFgranulocyte-colony stimulating factor granulocyte-colony stimulating factor half-maximal inhibitory concentration high mortality hPBMChuman peripheral blood mononuclear cell human peripheral blood mononuclear cell IC50half-maximal inhibitory concentration IL-10 ILInterleukin Inflammatory cytokine inhibited interferon-γ-inducible protein 10 interleukin Intervention IP10interferon-γ-inducible protein 10 lipopolysaccharide LPSlipopolysaccharide Macrophage macrophage inflammatory protein 1 alpha MCP-1monocyte chemoattractant protein -1 MERSMiddle East Respiratory Syndrome mice Middle East respiratory syndrome MIP-1αmacrophage inflammatory protein 1 alpha mitigate monocyte chemoattractant protein -1 mononuclear cell NF-κB NLR family PYRIN domain containing-3 NLRP3NLR family PYRIN domain containing-3 patients Peripheral blood reduce respiratory SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2Severe Acute Respiratory Syndrome Coronavirus -2 Severe Acute Respiratory Syndrome Coronavirus -2 Spread suppressed survival syndrome TNF-α Treatment U.S. Food and Drug Administration [DOI] 10.1016/j.biopha.2020.110643 [Article Type] Short communication
In silico molecular docking analysis for repurposing therapeutics against multiple proteins from SARS-CoV-2Research article Published on 2020-11-012022-10-05 Journal: European journal of pharmacology [Category] SARS, 신약개발, [키워드] ACE2 addition angiotensin-converting enzyme 2 anti-inflammatory action antiviral drug approach approved drug bind binding binding energy can be used clinically COVID 19 COVID-19 docking drug Drug repurposing ENhance eriodictyol fatality globe HCQ Helicase Host Infection Interaction isoniazid Lopinavir molecular docking molecular docking analysis molecular interaction mycophenolic acid NSP pandemic Pemirolast Protein receptor Receptor binding domain researcher responsible SARS protein SARS-CoV-2 SARS-CoV-2 protein selected small molecule spike Spread supported target protein tested therapeutic treat Treatment understanding viral propagation virus was done [DOI] 10.1016/j.ejphar.2020.173430 [Article Type] Research article
Repurposing current therapeutics for treating COVID-19: A vital role of prescription records data miningCOVID-19 치료를 위한 현재 치료제 용도 변경: 처방 기록 데이터 마이닝의 중요한 역할Article Published on 2020-11-012022-09-11 Journal: Drug development research [Category] Coronavirus, SARS, 신약개발, 임상, 치료제, [키워드] angiotensin Angiotensin receptor blockers approach approved assist Biomedical research claimed clinical trial clinical trials cohorts Community conditions controlled clinical trials COVID-19 COVID-19 patient COVID-19 patients criteria drug drug repositioning Drug repurposing EHR Electronic health record Electronic health records electronic health records (EHR). estradiol exclusion exclusion criteria faster Health Inclusion infected individual infected individuals morbidity open other conditions outbreak outcome over pandemic Patient PROTECT provide Receptor Blockers reducing repurposing retrospective SARS-CoV-2 pandemic severe COVID-19 symptoms Therapeutics TMPRSS2 treating COVID-19 patient Trial utility Vaccine with COVID-19 [DOI] 10.1002/ddr.21689 PMC 바로가기 [Article Type] Article
Human Induced Pluripotent Stem Cell-Derived Lung Epithelial System for SARS-CoV-2 Infection Modeling and Its Potential in Drug RepurposingArticle Published on 2020-11-012023-07-12 Journal: Stem cells and development [Category] SARS, [키워드] Drug repurposing human induced pluripotent stem cells lung epithelium Respiratory disease SARS-CoV-2 [DOI] 10.1089/scd.2020.0152
A High-Content Screen for Mucin-1-Reducing Compounds Identifies Fostamatinib as a Candidate for Rapid Repurposing for Acute Lung Injury뮤신-1 감소 화합물에 대한 고함량 선별 검사를 통해 포스타마티닙을 급성 폐 손상의 신속한 용도 변경 후보로 확인Article Published on 2020-10-292022-09-11 Journal: Cell Reports Medicine [Category] 비임상, 신약개발, [키워드] acute lung injury acute respiratory distress acute respiratory distress syndrome ALI approved ARDS breath candidate Cell cell surface clinical development clinical outcomes Compound COVID-19 drug drug candidate Drug repurposing epithelial cells fostamatinib fostamatinib. identify Immune thrombocytopenia inhibitor lung lung epithelial cell Lung epithelial cells Lung injury metabolite mouse model MUC1 mucin pandemic pandemic spread Potential treatment potential treatments predict promote Protein R788 Rapid reduce repurposing respiratory distress Respiratory distress syndrome SARS-CoV-2 Screen spleen Spread Stage SYK syndrome the cell thrombocytopenia Treatment tyrosine [DOI] 10.1016/j.xcrm.2020.100137 PMC 바로가기 [Article Type] Article