Natural products (NPs) constitute a large reserve of bioactive compounds useful for drug development. Recent advances in high-throughput technologies facilitate functional analysis of therapeutic effects and NP-based drug discovery. However, the larg...
The exploration of drug-target interactions (DTI) is an essential stage in the drug development pipeline. Thanks to the assistance of computational models, notably in the deep learning approach, scientists have been able to shorten the time spent on ...
IEEE journal of biomedical and health informatics
Apr 14, 2022
Identification of interactions between drugs and target proteins plays a critical role not only in drug discovery but also in drug repositioning. Deep integration of inter-connections and intra-similarities between heterogeneous multi-source data abo...
BACKGROUND: In research on new drug discovery, the traditional wet experiment has a long period. Predicting drug-target interaction (DTI) in silico can greatly narrow the scope of search of candidate medications. Excellent algorithm model may be more...
IEEE/ACM transactions on computational biology and bioinformatics
Apr 1, 2022
Predicting the interaction between a compound and a target is crucial for rapid drug repurposing. Deep learning has been successfully applied in drug-target affinity (DTA)problem. However, previous deep learning-based methods ignore modeling the dire...
International journal of molecular sciences
Mar 31, 2022
Identifying new disease indications for existing drugs can help facilitate drug development and reduce development cost. The previous drug-disease association prediction methods focused on data about drugs and diseases from multiple sources. However,...
Drug-target interaction (DTI) prediction plays a crucial role in drug repositioning and virtual drug screening. Most DTI prediction methods cast the problem as a binary classification task to predict if interactions exist or as a regression task to p...
BACKGROUND: Drug-drug interactions (DDIs) are the reactions between drugs. They are compartmentalized into three types: synergistic, antagonistic and no reaction. As a rapidly developing technology, predicting DDIs-associated events is getting more a...
British journal of clinical pharmacology
Feb 9, 2022
The safety and efficacy of pharmacotherapy in children, particularly preterms, neonates and infants, is limited by a paucity of good-quality data from prospective clinical drug trials. A specific challenge is the establishment of valid biomarkers. OM...
Current opinion in structural biology
Jan 21, 2022
Developing new drugs remains prohibitively expensive, time-consuming, and often involves safety issues. Accurate prediction of drug-target interactions (DTIs) can guide the drug discovery process and thus facilitate drug development. Non-Euclidian da...