Relation-aware Heterogeneous Graph Transformer based drug repurposingResearch article Published on 2022-03-012022-10-05 Journal: Sensors (Basel, Switzerland) [Category] 신약개발, [키워드] association Characteristics dataset Drug repurposing drugs Effectiveness Experimental result feature graph Graph neural network Graph transformer heterogeneity heterogeneous heterogeneous network identify increasingly information Link prediction [DOI] 10.1016/j.eswa.2021.116165 [Article Type] Research article
Machine Learning Applications in Drug Repurposing약물 용도의 기계 학습 응용 프로그램Review Published on 2022-03-012022-08-31 Journal: Interdisciplinary sciences, computational life sci [Category] SARS, 신약개발, [키워드] accelerate application Chinese traditional medicine coronavirus coronavirus disease COVID-19 COVID-19 pandemic Data science de novo deep deep learning disease Diseases drug drug combination drug combinations Drug discovery Drug repurposing drugs Evidence growth machine machine learning machine learning approach machine learning approaches Precision provide repurposing Signaling target targets technique Therapeutics therapy [DOI] 10.1007/s12539-021-00487-8 PMC 바로가기 [Article Type] Review
The FDA-Approved Drug Cobicistat Synergizes with Remdesivir To Inhibit SARS-CoV-2 Replication In Vitro and Decreases Viral Titers and Disease Progression in Syrian HamstersResearch Article Published on 2022-03-012023-07-01 Journal: mBio [Category] COVID19(2023년), SARS, [키워드] Cobicistat COVID-19 Direct-acting antivirals Drug repurposing Remdesivir SARS-CoV-2 Spike protein [DOI] 10.1128/mbio.03705-21 PMC 바로가기 [Article Type] Research Article
A multi-stage virtual screening of FDA-approved drugs reveals potential inhibitors of SARS-CoV-2 main proteaseFDA 승인 약물의 다단계 가상 스크리닝은 SARS-COV-2 주 프로테아제의 잠재적 억제제를 보여줍니다.Article Published on 2022-03-012022-08-31 Journal: Journal of biomolecular structure & dynamics [Category] SARS, 신약개발, 치료제, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus Analysis antiviral target applied approach approved binding mode caused Compound coronavirus coronavirus disease Coronavirus disease 2019 COVID-19 COVID-19 treatment crystal structure crystal structures docking drug drug candidate drug candidates Drug repurposing extension FDA-approved drug filtration FIVE flavonoid followed by free energy functional protein H-bond health emergency identify inhibitor inhibitors inhibitors of SARS-CoV-2 M pro maturation MD simulations molecular molecular docking molecular dynamics pharmacophore Potential protease protease inhibitors protein-ligand interaction protocol reported repurposing respiratory responsible reveal RMSD SARS-CoV-2 SARS-CoV-2 main protease severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus 2 trajectory Treatment Viral Virtual screening [DOI] 10.1080/07391102.2020.1837680 PMC 바로가기 [Article Type] Article
Haste makes waste: A critical review of docking-based virtual screening in drug repurposing for SARS-CoV-2 main protease (M-pro) inhibition서둘러 폐기물 : SARS-COV-2 메인 프로테아제 (M-PRO) 억제에 대한 약물 재생에서 도킹 기반 가상 스크리닝에 대한 비판적 검토Review Published on 2022-03-012022-08-31 Journal: Medicinal research reviews [Category] MERS, SARS, 신약개발, 치료제, [키워드] added addition approved Bioactivity calculated Compound compounds correlation COVID Critical cutoff value dataset docking docking score docking scores Drug repurposing drugs evaluate feasible FIVE inactive inhibitor inhibitors inhibitory activity initial M-pro inhibitors manuscript methodology molecular molecular docking peer-reviewed performance potency predict predictor protein-ligand protocol reliability SARS-CoV-2 SARS-CoV-2 3C protease SARS-CoV-2 main protease second set Structure Support treated Virtual screening were used [DOI] 10.1002/med.21862 PMC 바로가기 [Article Type] Review
Diethylcarbamazine as potential treatment of COVID-19 lung fibrosisCorrespondence Published on 2022-03-012022-10-05 Journal: Medical Hypotheses [Category] 신약개발, 치료법, [키워드] Anti-inflammatory antiparasitic drug clinical study coronavirus disease COVID-19 COVID-19-related pulmonary fibrosis Diethylcarbamazine Drug repurposing immunomodulatory activities Lung fibrosis post-COVID-19 Potential treatment pulmonary fibrosis treat [DOI] 10.1016/j.mehy.2022.110774 [Article Type] Correspondence
A global picture: therapeutic perspectives for COVID-19글로벌 그림: COVID-19에 대한 치료적 관점Review Published on 2022-02-212022-09-10 Journal: Immunotherapy [Category] COVID19(2023년), MERS, SARS, 신약개발, 치료제, [키워드] acute respiratory syndrome acute respiratory syndrome coronavirus acute respiratory syndrome coronavirus-2 affected age cause Complication Consequences Coronary heart disease coronavirus coronavirus disease Coronavirus-2 COVID-19 COVID-19 pandemic determine disorder drug drug discovery process drug dose Drug repurposing drug target event fatty Fatty liver heart disease illness include information life cycle management Metabolic disorders Numerous outbreak overweight pandemic patients Perspective pulmonary disease recovered patients renal renal failure Repurposed drug Repurposed drugs Research research and development respiratory SARS-CoV-2 serious COVID-19 Severe acute respiratory syndrome severe acute respiratory syndrome Coronavirus severe acute respiratory syndrome coronavirus-2 subsequent the disease therapeutic therapeutic agent therapeutic agents treat Vaccine Vaccine development Vaccines Viral Viral transmission virus [DOI] 10.2217/imt-2021-0168 PMC 바로가기 [Article Type] Review
Drug repurposing against SARS-CoV-2 using computational approachesReview Published on 2022-02-102023-07-02 Journal: Drug discovery today [Category] COVID19(2023년), SARS, [키워드] Computational approaches COVID-19 Drug repurposing molecular docking SARS-CoV-2 [DOI] 10.1016/j.drudis.2022.02.004 PMC 바로가기 [Article Type] Review
Identification of Hypericin as a Candidate Repurposed Therapeutic Agent for COVID-19 and Its Potential Anti-SARS-CoV-2 ActivityMicrobiology Published on 2022-02-102022-10-31 Journal: Frontiers in Microbiology [Category] COVID-19, [키워드] activity acute respiratory syndrome agent Analysis anti-SARS-CoV-2 Antiviral Area bind candidate composed Compound confirmed case coronavirus country COVID-19 COVID-19 pandemic cultured cells cytotoxicity dose drug Drug repurposing enzyme evaluated Health high affinity Hypericin Hypericum identification in vitro model increase in infected cells inhibited maturation MM/PBSA MPro pathogenic Potential public health RdRP Region regulatory agency Replication rising RNA RNA polymerase SARS-CoV-2 Spread stages Still surface targets Treatment vaccination variant VERO-E6 Viral protein viral replication Virtual screening virus virus replication [DOI] 10.3389/fmicb.2022.828984 PMC 바로가기 [Article Type] Microbiology
The neutralization effect of montelukast on SARS-CoV-2 is shown by multiscale in silico simulations and combined in vitro studiesArticle Published on 2022-02-022023-07-06 Journal: Molecular therapy : the journal of the American So [Category] COVID19(2023년), [키워드] COVID-19 Drug repurposing MD simulations molecular docking Montelukast Pseudovirus neutralization Virus neutralization [DOI] 10.1016/j.ymthe.2021.10.014 PMC 바로가기