Drug repurposing is promising in multiple scenarios, such as emerging viral outbreak controls and cost reductions of drug discovery. Traditional graph-based drug repurposing methods are limited to fast, large-scale virtual screens, as they constrain ...
Progress in molecular biology and translational science
Mar 31, 2024
The purpose of drug repurposing is to leverage previously approved drugs for a particular disease indication and apply them to another disease. It can be seen as a faster and more cost-effective approach to drug discovery and a powerful tool for achi...
Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie
Mar 21, 2024
Ubiquitin-specific protease (USP), an enzyme catalyzing protein deubiquitination, is involved in biological processes related to metabolic disorders and cancer proliferation. We focused on constructing predictive models tailored to unveil compounds b...
Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie
Mar 20, 2024
Parkinson's disease (PD) is a complex neurodegenerative disorder with an unclear etiology. Despite significant research efforts, developing disease-modifying treatments for PD remains a major unmet medical need. Notably, drug repositioning is becomin...
The increasing utilization of artificial intelligence algorithms in drug development has proven to be highly efficient and effective. One area where deep learning-based approaches have made significant contributions is in drug repositioning, enabling...
INTRODUCTION: The COVID-19 Disease Map project is a large-scale community effort uniting 277 scientists from 130 Institutions around the globe. We use high-quality, mechanistic content describing SARS-CoV-2-host interactions and develop interoperable...
IEEE/ACM transactions on computational biology and bioinformatics
Feb 5, 2024
Computational drug repositioning can identify potential associations between drugs and diseases. This technology has been shown to be effective in accelerating drug development and reducing experimental costs. Although there has been plenty of resear...
Extracting expressive molecular features is essential for molecular property prediction. Sequence-based representation is a common representation of molecules, which ignores the structure information of molecules. While molecular graph representation...
Dengue outbreaks persist in global tropical regions, lacking approved antivirals, necessitating critical therapeutic development against the virus. In this context, we developed the "Anti-Dengue" algorithm that predicts dengue virus inhibitors using ...
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