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...
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 ...
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...
Interdisciplinary sciences, computational life sciences
38103130
Drug repositioning is critical to drug development. Previous drug repositioning methods mainly constructed drug-disease heterogeneous networks to extract drug-disease features. However, these methods faced difficulty when we are using structurally si...
Journal of biomolecular structure & dynamics
38400742
Activation of NLRP3 (NOD-like receptor family, pyrin domain-containing protein 3) has been associated with multiple chronic pathologies, including diabetes, atherosclerosis, and rheumatoid arthritis. Moreover, histone deacetylases (HDACs), specifical...
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...
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...
IEEE journal of biomedical and health informatics
38437145
Drug repositioning greatly reduces drug development costs and time by discovering new indications for existing drugs. With the development of technology and large-scale biological databases, computational drug repositioning has increasingly attracted...
IEEE journal of biomedical and health informatics
38109249
The traditional drug development process requires a significant investment in workforce and financial resources. Drug repositioning as an efficient alternative has attracted much attention during the last few years. Despite the wide application and s...