posted on 2025-01-06, 21:47authored byQingyu Bian, Zheyuan Shen, Jian Gao, Liteng Shen, Yang Lu, Qingnan Zhang, Roufen Chen, Donghang Xu, Tao Liu, Jinxin Che, Yan Lu, Xiaowu Dong
Predicting protein–protein interactions (PPIs)
is crucial
for advancing drug discovery. Despite the proposal of numerous advanced
computational methods, these approaches often suffer from poor usability
for biologists and lack generalization. In this study, we designed
a deep learning model based on a coattention mechanism that was capable
of both PPI and site prediction and used this model as the foundation
for PPI-CoAttNet, a user-friendly, multifunctional web server for
PPI prediction. This platform provides comprehensive services for
online PPI model training, PPI and site prediction, and prediction
of interactions with proteins associated with highly prevalent cancers.
In our Homo sapiens test set for PPI
prediction, PPI-CoAttNet achieved an AUC of 0.9841 and an F1 score
of 0.9440, outperforming most state-of-the-art models. Additionally,
these results are generated in real time, delivering outcomes within
minutes. We also evaluated PPI-CoAttNet for downstream tasks, including
novel E3 ligase scoring, demonstrating outstanding accuracy. We believe
that this tool will empower researchers, especially those without
computational expertise, to leverage AI for accelerating drug development.