Sequence-based prediction of protein binding regions and drug-target interactions.

ABSTRACT: Identifying drug-target interactions (DTIs) is important for drug discovery. However, searching all drug-target spaces poses a major bottleneck. Therefore, recently many deep learning models have been proposed to address this problem. However, the developers of these deep learning models have neglected interpretability in model construction, which is closely related to a model's performance. We hypothesized that training a model to predict important regions on a protein sequence would increase DTI prediction performance and provide a more interpretable model. Consequently, we constructed a deep learning model, named Highlights on Target Sequences (HoTS), which predicts binding regions (BRs) between a protein sequence and a drug ligand, as well as DTIs between them. To train the model, we c

SUBMITTER: Lee I 

PROVIDER: S-EPMC8822694 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature