AIMC Topic: Drug Repositioning

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Biologically Enhanced Machine Learning Model to uncover Novel Gene-Drug Targets for Alzheimer's Disease.

Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing
Given the complexity and multifactorial nature of Alzheimer's disease, investigating potential drug-gene targets is imperative for developing effective therapies and advancing our understanding of the underlying mechanisms driving the disease. We pre...

GENNDTI: Drug-Target Interaction Prediction Using Graph Neural Network Enhanced by Router Nodes.

IEEE journal of biomedical and health informatics
Identifying drug-target interactions (DTI) is crucial in drug discovery and repurposing, and in silico techniques for DTI predictions are becoming increasingly important for reducing time and cost. Most interaction-based DTI models rely on the guilt-...

Drug-Target Interaction Prediction via Deep Multimodal Graph and Structural Learning.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
Drug-target interaction (DTI) prediction speeds up drug repurposing, accelerates drug screening, and reduces drug design timeframe. Previous DTI prediction frameworks lack consideration for the multimodal nature of DTI, advanced feature representatio...

RepurposeDrugs: an interactive web-portal and predictive platform for repurposing mono- and combination therapies.

Briefings in bioinformatics
RepurposeDrugs (https://repurposedrugs.org/) is a comprehensive web-portal that combines a unique drug indication database with a machine learning (ML) predictor to discover new drug-indication associations for approved as well as investigational mon...

SGCLDGA: unveiling drug-gene associations through simple graph contrastive learning.

Briefings in bioinformatics
Drug repurposing offers a viable strategy for discovering new drugs and therapeutic targets through the analysis of drug-gene interactions. However, traditional experimental methods are plagued by their costliness and inefficiency. Despite graph conv...

Eravacycline, an antibacterial drug, repurposed for pancreatic cancer therapy: insights from a molecular-based deep learning model.

Briefings in bioinformatics
BACKGROUND: Pancreatic ductal adenocarcinoma (PDAC) remains a serious threat to health, with limited effective therapeutic options, especially due to advanced stage at diagnosis and its inherent resistance to chemotherapy, making it one of the leadin...

Natural Language Processing for Drug Discovery Knowledge Graphs: Promises and Pitfalls.

Methods in molecular biology (Clifton, N.J.)
Building and analyzing knowledge graphs (KGs) to aid drug discovery is a topical area of research. A salient feature of KGs is their ability to combine many heterogeneous data sources in a format that facilitates discovering connections. The utility ...

Comprehensive Review on Drug-target Interaction Prediction - Latest Developments and Overview.

Current drug discovery technologies
Drug-target interactions (DTIs) are an important part of the drug development process. When the drug (a chemical molecule) binds to a target (proteins or nucleic acids), it modulates the biological behavior/function of the target, returning it to its...

Drug repurposing for viral cancers: A paradigm of machine learning, deep learning, and virtual screening-based approaches.

Journal of medical virology
Cancer management is major concern of health organizations and viral cancers account for approximately 15.4% of all known human cancers. Due to large number of patients, efficient treatments for viral cancers are needed. De novo drug discovery is tim...

Interpretable deep learning translation of GWAS and multi-omics findings to identify pathobiology and drug repurposing in Alzheimer's disease.

Cell reports
Translating human genetic findings (genome-wide association studies [GWAS]) to pathobiology and therapeutic discovery remains a major challenge for Alzheimer's disease (AD). We present a network topology-based deep learning framework to identify dise...