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Drug Repositioning

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Antivirals for monkeypox virus: Proposing an effective machine/deep learning framework.

PloS one
Monkeypox (MPXV) is one of the infectious viruses which caused morbidity and mortality problems in these years. Despite its danger to public health, there is no approved drug to stand and handle MPXV. On the other hand, drug repurposing is a promisin...

DeepDRA: Drug repurposing using multi-omics data integration with autoencoders.

PloS one
Cancer treatment has become one of the biggest challenges in the world today. Different treatments are used against cancer; drug-based treatments have shown better results. On the other hand, designing new drugs for cancer is costly and time-consumin...

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...

In Silico drug repurposing pipeline using deep learning and structure based approaches in epilepsy.

Scientific reports
Due to considerable global prevalence and high recurrence rate, the pursuit of effective new medication for epilepsy treatment remains an urgent and significant challenge. Drug repurposing emerges as a cost-effective and efficient strategy to combat ...

Molecular docking aided machine learning for the identification of potential VEGFR inhibitors against renal cell carcinoma.

Medical oncology (Northwood, London, England)
Renal cell carcinoma is a highly vascular tumor associated with vascular endothelial growth factor (VEGF) expression. The Vascular Endothelial Growth Factor -2 (VEGF-2) and its receptor was identified as a potential anti-cancer target, and it plays a...

Lung Adenocarcinoma Systems Biomarker and Drug Candidates Identified by Machine Learning, Gene Expression Data, and Integrative Bioinformatics Pipeline.

Omics : a journal of integrative biology
Lung adenocarcinoma (LUAD) is a significant planetary health challenge with its high morbidity and mortality rate, not to mention the marked interindividual variability in treatment outcomes and side effects. There is an urgent need for robust system...

Deep learning large-scale drug discovery and repurposing.

Nature computational science
Large-scale drug discovery and repurposing is challenging. Identifying the mechanism of action (MOA) is crucial, yet current approaches are costly and low-throughput. Here we present an approach for MOA identification by profiling changes in mitochon...

Unraveling druggable cancer-driving proteins and targeted drugs using artificial intelligence and multi-omics analyses.

Scientific reports
The druggable proteome refers to proteins that can bind to small molecules with appropriate chemical affinity, inducing a favorable clinical response. Predicting druggable proteins through screening and in silico modeling is imperative for drug desig...

Drug Repositioning via Multi-View Representation Learning With Heterogeneous Graph Neural Network.

IEEE journal of biomedical and health informatics
Exploring simple and efficient computational methods for drug repositioning has emerged as a popular and compelling topic in the realm of comprehensive drug development. The crux of this technology lies in identifying potential drug-disease associati...