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Hauptverfasser: Xia, Xiaoqiong, de la Fuente-Nunez, Cesar
Format: Preprint
Veröffentlicht: 2025
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Online-Zugang:https://arxiv.org/abs/2511.14669
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author Xia, Xiaoqiong
de la Fuente-Nunez, Cesar
author_facet Xia, Xiaoqiong
de la Fuente-Nunez, Cesar
contents Infections depend on interactions between pathogen and host proteins, but comprehensively mapping these interactions is challenging and labor intensive. Many biological networks have hierarchical, scale-free structure, so we developed a deep learning framework, ApexPPI, that represents protein networks in hyperbolic Riemannian space to capture these features. Our model integrates multimodal biological data (protein sequences, gene perturbation experiments, and complementary interaction networks) to predict likely interactions between pathogen and host proteins through multi-task hyperbolic graph neural networks. Mapping protein features into hyperbolic space led to much higher accuracy than previous methods in predicting host-pathogen interactions. From tens of millions of possible protein pairs, our model identified thousands of high-confidence interactions, including many involving human G-protein-coupled receptors (GPCRs). We validated dozens of these predicted complexes using AlphaFold 3 structural modeling, supporting the accuracy of our predictions. This comprehensive map of host-pathogen protein interactions provides a resource for discovering new treatments and illustrates how advanced AI can unravel complex biological systems.
format Preprint
id arxiv_https___arxiv_org_abs_2511_14669
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Hyperbolic Graph Embeddings Reveal the Host-Pathogen Interactome
Xia, Xiaoqiong
de la Fuente-Nunez, Cesar
Molecular Networks
Infections depend on interactions between pathogen and host proteins, but comprehensively mapping these interactions is challenging and labor intensive. Many biological networks have hierarchical, scale-free structure, so we developed a deep learning framework, ApexPPI, that represents protein networks in hyperbolic Riemannian space to capture these features. Our model integrates multimodal biological data (protein sequences, gene perturbation experiments, and complementary interaction networks) to predict likely interactions between pathogen and host proteins through multi-task hyperbolic graph neural networks. Mapping protein features into hyperbolic space led to much higher accuracy than previous methods in predicting host-pathogen interactions. From tens of millions of possible protein pairs, our model identified thousands of high-confidence interactions, including many involving human G-protein-coupled receptors (GPCRs). We validated dozens of these predicted complexes using AlphaFold 3 structural modeling, supporting the accuracy of our predictions. This comprehensive map of host-pathogen protein interactions provides a resource for discovering new treatments and illustrates how advanced AI can unravel complex biological systems.
title Hyperbolic Graph Embeddings Reveal the Host-Pathogen Interactome
topic Molecular Networks
url https://arxiv.org/abs/2511.14669