Drug repurposing against SARS-CoV-2 receptor binding domain using ensemble-based virtual screening and molecular dynamics simulationsResearch article Published on 2021-08-012022-10-05 Journal: Computers in biology and medicine [Category] SARS, 신약개발, [키워드] ACE2 proteins ACE2-RBD acute respiratory syndrome approach binding binding domain binding site caused Clustering analysis conformation conformational Conformational ensemble conformations Coronavirus-2 COVID-19 death docking scores drug drug design Drug repurposing drugs exhibited FDA approved drug help human ACE2 identify inhibiting Interaction investigated MD simulation MD simulations molecular Molecular dynamics simulation plasticity predicted RBD Receptor binding domain Respiratory disease responsible SARS-CoV-2 SARS-CoV-2 RBD SARS-CoV-2 receptor significantly Spike protein stability the RBD the SARS-CoV-2 Virtual screening virus infection were used worldwide pandemic [DOI] 10.1016/j.compbiomed.2021.104634 [Article Type] Research article
COVID-19: Vaccine Delivery System, Drug Repurposing and Application of Molecular Modeling ApproachReview Published on 2021-07-302023-06-14 Journal: Drug design, development and therapy [Category] MERS, SARS, [키워드] COVID-19 Drug repurposing Molecular modeling Nanoparticles Vaccine [DOI] 10.2147/DDDT.S320320 PMC 바로가기 [Article Type] Review
Ten Rules for Conducting Retrospective Pharmacoepidemiological Analyses: Example COVID-19 StudyPharmacology Published on 2021-07-282022-10-31 Journal: Frontiers in Pharmacology [Category] COVID-19, [키워드] administration Analysis Care Conducting COVID-19 COVID-19 pandemic distribution Drug repurposing Effectiveness Efficiency Epidemiology Evidence example Health hypothese Hypothesis hypothetical implication lack observational study pandemic pharmacoepidemiology provide Randomized Randomized controlled trial researcher resource retrospective retrospective analyses rule Treatment Trial Vaccine [DOI] 10.3389/fphar.2021.700776 PMC 바로가기 [Article Type] Pharmacology
SARS-CoV-2 Antiviral TherapyReview Published on 2021-07-282023-06-18 Journal: Clinical microbiology reviews [Category] Fulltext, SARS, [키워드] antiviral therapy Drug repurposing monoclonal antibody nucleoside analogs SARS-CoV-2 [DOI] 10.1128/CMR.00109-21 PMC 바로가기 [Article Type] Review
Expert-Augmented Computational Drug Repurposing Identified Baricitinib as a Treatment for COVID-19Pharmacology Published on 2021-07-282022-10-31 Journal: Frontiers in Pharmacology [Category] COVID-19, [키워드] acute respiratory syndrome administration Anti-inflammatory therapy Antiviral applied approval approved drug Baricitinib computational tool coronavirus COVID-19 disease drug Drug repurposing Effectiveness FDA hidden human computer interaction Identified identify information iterative knowledge knowledge discovery and data mining Knowledge graph Mortality pandemic phase randomised reductions in repurposing Research rheumatoid arthritis SARS-CoV-2 Standard of care the disease treat Treatment Trial Vaccines widespread [DOI] 10.3389/fphar.2021.709856 PMC 바로가기 [Article Type] Pharmacology
Artificial intelligence-driven drug repurposing and structural biology for SARS-CoV-2Review article Published on 2021-07-282022-10-05 Journal: Current Research in Pharmacology and Drug Discovery [Category] 신약개발, [키워드] antiviral drug approved artificial artificial intelligence Biochemistry Community Compound COVID-19 COVID-19 pandemic deep learning drug Drug discovery Drug repurposing drugs effective include inhibiting Potential Protein Proteins researcher SARS-CoV-2 Structure were used [DOI] 10.1016/j.crphar.2021.100042 [Article Type] Review article
Drugs repurposed for COVID-19 by virtual screening of 6,218 drugs and cell-based assay6,218 개의 약물 및 세포 기반 분석의 가상 스크리닝에 의해 Covid-19에 대한 용도가 변경된 약물408 Published on 2021-07-272022-08-31 Journal: Proceedings of the National Academy of Sciences of [Category] 신약개발, 치료제, [키워드] anti-SARS-CoV-2 activities Anti-SARS-CoV-2 Activity antiviral agent Antiviral agents antiviral drug antiviral drugs antiviral efficacy applied approach approved approved drug approved drugs Calu Calu-3 caused cell-based assay clinical trial clinically Compound Computational methods concentrations COVID-19 COVID-19 pandemic docking docking-based virtual screening drug drug combination drug combinations Drug repurposing drugs Effect Efficacy emodin False positive False positives Health human Calu-3 cells human lung cells IMPROVE infectious viruses inhibit SARS-CoV-2 inhibiting Interaction omipalisib predicted protease recent reduce reduced Remdesivir Replication reported Repurposed drugs resulting risk RNA-dependent RNA polymerase SARS-CoV-2 SARS-COV-2 infection SARS-CoV-2 replication screened Seven Significance similarity Spread synergistic synergistic effects therapy tipifarnib Toxicity treating COVID-19 Treatment Vero cells Virtual screening viruses [DOI] 10.1073/pnas.2024302118 PMC 바로가기 [Article Type] 408
Comprehensive Consensus Analysis of SARS-CoV-2 Drug Repurposing CampaignsReview Published on 2021-07-272023-06-16 Journal: Journal of Chemical Information and Modeling [Category] MERS, SARS, [키워드] Chemical libraries COVID-19 docking Drug repurposing High-throughput screening main protease SARS-CoV-2 Spike protein Virtual screening [DOI] 10.1021/acs.jcim.1c00384 PMC 바로가기 [Article Type] Review
Computational identification of repurposed drugs against viruses causing epidemics and pandemics via drug-target network analysisArticle Published on 2021-07-232023-06-23 Journal: Computers in biology and medicine [Category] SARS, 신종인플루엔자, [키워드] antivirals Drug repurposing Epidemics FDA approved Pandemics virus [DOI] 10.1016/j.compbiomed.2021.104677 PMC 바로가기 [Article Type] Article
Neuromodulatory effects of SARS-CoV2 infection: Possible therapeutic targetsReview Published on 2021-07-202023-06-15 Journal: Expert opinion on therapeutic targets [Category] MERS, SARS, [키워드] coronavirus COVID-19 cyclophilins Drug repurposing estrogen receptors exportin histone deacetylases Neurological complications SARS-CoV-2 ubiquitin/proteosome system [DOI] 10.1080/14728222.2021.1953475 PMC 바로가기 [Article Type] Review