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Biomedical knowledge graph learning for drug repurposing by extending guilt-by-association to multiple layers
Computational drug repurposing aims to identify new indications for existing drugs by utilizing high-throughput data, often in the form of biomedical...
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Single-cell-led drug repurposing for Alzheimer’s disease
Alzheimer’s disease is the most common form of dementia. Notwithstanding the huge investments in drug development, only one disease-modifying...
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Drug repurposing screen identifies lonafarnib as respiratory syncytial virus fusion protein inhibitor
Respiratory syncytial virus (RSV) is a common cause of acute lower respiratory tract infection in infants, older adults and the immunocompromised....
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Identification of potential new COVID-19 treatments via RWD-driven drug repurposing
By utilizing Optum Life Sciences Claims Data, we constructed Real World Data (RWD) cohorts comprising over 3 million patients and simulated a...
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Conformational diversity and protein–protein interfaces in drug repurposing in Ras signaling pathway
We focus on drug repurposing in the Ras signaling pathway, considering structural similarities of protein–protein interfaces. The interfaces formed...
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Unlocking potential inhibitors for Bruton's tyrosine kinase through in-silico drug repurposing strategies
Bruton's tyrosine kinase (BTK) is a non-receptor protein kinase that plays a crucial role in various biological processes, including immune system...
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Molecular-evaluated and explainable drug repurposing for COVID-19 using ensemble knowledge graph embedding
The search for an effective drug is still urgent for COVID-19 as no drug with proven clinical efficacy is available. Finding the new purpose of an...
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The OREGANO knowledge graph for computational drug repurposing
Drug repositioning is a faster and more affordable solution than traditional drug discovery approaches. From this perspective, computational drug...
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Metabolic modeling-based drug repurposing in Glioblastoma
The manifestation of intra- and inter-tumor heterogeneity hinders the development of ubiquitous cancer treatments, thus requiring a tailored therapy...
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One of the 5-aminosalicylates drug, mesalamine as a drug repurposing lead against breast cancer
BackgroundBreast cancer is the world's second leading cause of death in women. The problem of chemoresistance in breast cancer is proving to be a...
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In silico drug repurposing carvedilol and its metabolites against SARS-CoV-2 infection using molecular docking and molecular dynamic simulation approaches
The pandemic of coronavirus disease 2019 (COVID-19) caused by the infection of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has...
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Repurposing disulfiram, an alcohol-abuse drug, in neuroblastoma causes KAT2A downregulation and in vivo activity with a water/oil emulsion
Neuroblastoma, the most common type of pediatric extracranial solid tumor, causes 10% of childhood cancer deaths. Despite intensive multimodal...
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A multi-targeted computational drug discovery approach for repurposing tetracyclines against monkeypox virus
Monkeypox viral infection is an emerging threat and a major concern for the human population. The lack of drug molecules to treat this disease may...
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Network analysis-guided drug repurposing strategies targeting LPAR receptor in the interplay of COVID, Alzheimer’s, and diabetes
The COVID-19 pandemic caused by the SARS-CoV-2 virus has greatly affected global health. Emerging evidence suggests a complex interplay between...
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Exploring the pathways of drug repurposing and Panax ginseng treatment mechanisms in chronic heart failure: a disease module analysis perspective
Chronic Heart Failure (CHF) is a significant global public health issue, with high mortality and morbidity rates and associated costs. Disease...
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Integrating gene expression and clinical data to identify drug repurposing candidates for hyperlipidemia and hypertension
Discovering novel uses for existing drugs, through drug repurposing, can reduce the time, costs, and risk of failure associated with new drug...
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Network controllability solutions for computational drug repurposing using genetic algorithms
Control theory has seen recently impactful applications in network science, especially in connections with applications in network medicine. A key...
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Network medicine for disease module identification and drug repurposing with the NeDRex platform
Traditional drug discovery faces a severe efficacy crisis. Repurposing of registered drugs provides an alternative with lower costs and faster drug...
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ASGARD is A Single-cell Guided Pipeline to Aid Repurposing of Drugs
Single-cell RNA sequencing technology has enabled in-depth analysis of intercellular heterogeneity in various diseases. However, its full potential...