Integrated multi-omics, network pharmacology, and machine learning reveal the active constituents and pharmacological mechanism of Fufang E'jiao Jiang against lung cancer-related fatigue.

Authors

Kunshuang Shen, Hui Sun, Le Yang, Qin Feng, Ning Zhang, Chaofan Zhao, Yinling Luan, Hui Sun, Jianjun Gu, Ye Sun, Zhengcan Zhou, Ying Han, Haibin Liu, Xijun Wang

Published in

Analytica chimica acta. Volume 1426. Pages 346367. Dec 08, 2026. Epub Oct 08, 2026.

Abstract

Fufang E'jiao Jiang (FEJ), a classic traditional Chinese medicine formula for improving immunity, has demonstrated clinical efficacy in alleviating lung cancer-related fatigue (LCRF). FEJ contains both plant-derived herbs and animal-derived donkey-hide gelatin, yet its complex chemical composition-particularly the collagen-derived peptides and proteins-remains incompletely characterized. However, a systematic characterization of its complex chemical composition remains lacking, and the underlying anti-LCRF mechanism of its are yet to be fully elucidated. By integrating metabolomics (UHPLC-QTOF-MS and GC-MS), peptidomics, and proteomics (NanoLC-Orbitrap-MS/MS), we identified 186 small molecules, 243 peptides, and 42 proteins in FEJ, substantially expanding the chemical coverage relative to previous reports that focused mainly on small molecules. Notably, collagen-derived peptides and proteins from donkey-hide gelatin were characterized for the first time. Network pharmacology and consensus machine learning (LASSO, random forest, and SVM-RFE) prioritized 17 potential key constituents (including 8 donkey-hide gelatin peptides, 5 ginsenosides, and others), spanning all five constituent medicinal materials. Six core targets (IL1B, IL6, TNF, MTOR, BCL2L1, and BDNF) were screened and were predicted to be associated with the regulation of inflammation, energy metabolism, and skeletal muscle function, potentially through the NF-κB and PI3K-Akt signaling pathways. The main novelty lies in the first comprehensive characterization of FEJ including peptides and proteins, and in the establishment of a multi-omics workflow applicable to animal-containing traditional Chinese medicine formulas. These findings provide a solid chemical basis for deciphering the anti-LCRF mechanisms of FEJ and warrant further experimental validation.

PMID:
42967798
Bibliographic data and abstract were imported from PubMed on 02 Nov 2026.

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