AIMC Topic: Drug Repositioning

Clear Filters Showing 1 to 10 of 270 articles

In-silico study of approved drugs as potential inhibitors against 3CLpro and other viral proteins of CoVID-19.

PloS one Jun 25, 2025
The global pandemic, due to the emergence of COVID-19, has created a public health crisis. It has a huge morbidity rate that was never comprehended in the recent decades. Despite numerous efforts, potent antiviral drugs are lacking. Repurposing of dr...
Antiviral Agents Protein Binding SARS-CoV-2 Molecular Docking Simulation COVID-19 Drug Treatment Coronavirus 3C Proteases Coronavirus Nucleocapsid Proteins Spike Glycoprotein, Coronavirus Drug Repositioning Humans COVID-19 Computer Simulation Machine Learning
View on PubMed DOI

MTGNN: A Drug-Target-Disease Triplet Association Prediction Model Based on Multimodal Heterogeneous Graph Neural Networks and Direction-Aware Metapaths.

Journal of chemical information and modeling Jun 5, 2025
The forecasting of drug-target interactions (DTIs) is a crucial element in the domain of drug repositioning. Current methodologies, primarily based on dual-branch architectures or graph neural networks (GNNs), typically model binary associations─spec...
Graph Neural Networks Neural Networks, Computer Humans Drug Repositioning
View on PubMed DOI

Artificial intelligence revolution in drug discovery: A paradigm shift in pharmaceutical innovation.

International journal of pharmaceutics May 30, 2025
Integrating artificial intelligence (AI) into drug discovery has revolutionized pharmaceutical innovation, addressing the challenges of traditional methods that are costly, time-consuming, and suffer from high failure rates. By utilizing machine lear...
Drug Repositioning COVID-19 Drug Treatment Humans Drug Design Drug Discovery Artificial Intelligence
View on PubMed DOI

Prediction of drug-target interactions based on substructure subsequences and cross-public attention mechanism.

PloS one May 30, 2025
Drug-target interactions (DTIs) play a critical role in drug discovery and repurposing. Deep learning-based methods for predicting drug-target interactions are more efficient than wet-lab experiments. The extraction of original and substructural feat...
Humans Algorithms Proteins Drug Repositioning Pharmaceutical Preparations Drug Discovery Deep Learning Data Mining
View on PubMed DOI

Novel Antimicrobials from Computational Modelling and Drug Repositioning: Potential Strategies to Increase Therapeutic Arsenal Against Antimicrobial Resistance.

Molecules (Basel, Switzerland) May 24, 2025
Antimicrobial resistance (AMR) is one of the most significant public health threats today. The need for new antimicrobials against multidrug-resistant infections is growing. The development of computational models capable of predicting new drug-targe...
Molecular Dynamics Simulation Molecular Docking Simulation Drug Repositioning Anti-Infective Agents Computer Simulation Machine Learning Anti-Bacterial Agents Humans
View on PubMed DOI

5-Repurposed Drug Candidates Identified in Motor Neurons and Muscle Tissues with Amyotrophic Lateral Sclerosis by Network Biology and Machine Learning Based on Gene Expression.

Neuromolecular medicine Apr 3, 2025
Amyotrophic lateral sclerosis (ALS) is a progressive neurodegenerative disorder that leads to motor neuron degeneration, muscle weakness, and respiratory failure. Despite ongoing research, effective treatments for ALS are limited. This study aimed to...
Machine Learning Gene Expression Profiling Humans Amyotrophic Lateral Sclerosis Motor Neurons Muscle, Skeletal Drug Repositioning Transcriptome Gene Regulatory Networks
View on PubMed DOI

SS-DTI: A deep learning method integrating semantic and structural information for drug-target interaction prediction.

Journal of bioinformatics and computational biology Mar 25, 2025
Drug-target interaction (DTI) prediction is pivotal in drug discovery and repurposing, providing a more efficient alternative to traditional wet-lab experiments by saving time and resources and expediting the identification of potential targets. Curr...
Proteins Deep Learning Drug Repositioning Neural Networks, Computer Computational Biology Semantics Pharmaceutical Preparations Drug Discovery
View on PubMed DOI

Multidependency Graph Convolutional Networks and Contrastive Learning for Drug Repositioning.

Journal of chemical information and modeling Mar 12, 2025
The goal of drug repositioning is to expedite the drug development process by finding novel therapeutic applications for approved drugs. Using multifeature learning, different computational drug repositioning techniques have recently been introduced ...
Humans Neural Networks, Computer Drug Repositioning Machine Learning
View on PubMed DOI

Leveraging machine learning for drug repurposing in rheumatoid arthritis.

Drug discovery today Mar 11, 2025
Rheumatoid arthritis (RA) presents a significant challenge in clinical management because of the dearth of effective drugs despite advances in understanding its mechanisms. Drug repurposing has emerged as a promising strategy to address this gap, off...
Drug Discovery Arthritis, Rheumatoid Machine Learning Humans Drug Repositioning Animals Antirheumatic Agents
View on PubMed DOI

Applications of Artificial Intelligence in Drug Repurposing.

Advanced science (Weinheim, Baden-Wurttemberg, Germany) Mar 6, 2025
Drug repurposing identifies new therapeutic uses for the existing drugs originally developed for different indications, aiming at capitalizing on the established safety and efficacy profiles of known drugs. Thus, it is beneficial to bypass of early s...
Drug Development Drug Repositioning Artificial Intelligence Algorithms Humans
View on PubMed DOI
Popular Topics
Recent Journals