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Metabolites
Volume 15
Issue 12
10.3390/metabo15120782
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This is an early access version, the complete PDF, HTML, and XML versions will be available soon.
Article

Integrative Network Pharmacology and Multi-Omics Analysis Reveal Key Targets and Mechanisms of Saikosaponin B1 Against Acute Lung Injury

by
Yuanfei Niu
1,
Meiting Liu
2,
Shuang Cui
2,
Kaiyang Liu
2,
Mengyuan Yang
2,
Xiaozhen Hu
1,
Changhui Zheng
1,
Lianmei Wang
2,* and
Junling Cao
1,*
1
School of Chinese Materia Medica, Beijing University of Chinese Medicine, Beijing 102488, China
2
State Key Laboratory for Quality Ensurance and Sustainable Use of Dao-di Herbs, Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China
*
Authors to whom correspondence should be addressed.
Metabolites 2025, 15(12), 782; https://doi.org/10.3390/metabo15120782
Submission received: 19 October 2025 / Revised: 20 November 2025 / Accepted: 2 December 2025 / Published: 4 December 2025
(This article belongs to the Section Pharmacology and Drug Metabolism)
Versions Notes

Abstract

Background/Objectives: Acute lung injury (ALI) is a severe condition driven largely by inflammation and has limited therapeutic options. Although saikosaponin B1 (SSB1), a primary bioactive saponin from Bupleurum Radix, has demonstrated anti-inflammatory properties, its efficacy against ALI and its corresponding molecular mechanisms remain largely unexplored. This study employed an integrated approach combining network pharmacology, transcriptomics, and metabolomics to decipher the protective mechanisms of SSB1 against ALI. Methods: Potential targets were identified via network pharmacology, and core targets were validated through molecular docking, dynamics simulations, and independent GEO transcriptomic datasets. Experimental validation was performed in an LPS-induced murine ALI model, combining histopathology, ELISA, and integrated transcriptomic and metabolomic analyses. Results: Integrated analyses identified IL1B, TNF, and IL6 as core targets through which SSB1 exerts its anti-ALI effects. These targets were validated by high-affinity binding in simulations, confirmed in independent GEO transcriptomic datasets, and shown to be normalized by SSB1 treatment in vivo. Mechanistically, SSB1 appears to modulate the NOD-like receptor and cGAS-STING signaling pathways and rectify the key metabolic pathways orchestrated by these targets, including glycerophospholipid, arachidonic acid, and linoleic acid metabolism. Conclusions: This study systematically investigates the therapeutic effects of SSB1 against ALI by identifying its potential targets and underlying pathways. These results provide crucial mechanistic insights and robust experimental support, thereby paving the way for the clinical translation of SSB1.
Keywords: saikosaponin B1; acute lung injury; network pharmacology; multi-omics; molecular docking; molecular dynamics simulation saikosaponin B1; acute lung injury; network pharmacology; multi-omics; molecular docking; molecular dynamics simulation

Share and Cite

MDPI and ACS Style

Niu, Y.; Liu, M.; Cui, S.; Liu, K.; Yang, M.; Hu, X.; Zheng, C.; Wang, L.; Cao, J. Integrative Network Pharmacology and Multi-Omics Analysis Reveal Key Targets and Mechanisms of Saikosaponin B1 Against Acute Lung Injury. Metabolites 2025, 15, 782. https://doi.org/10.3390/metabo15120782

AMA Style

Niu Y, Liu M, Cui S, Liu K, Yang M, Hu X, Zheng C, Wang L, Cao J. Integrative Network Pharmacology and Multi-Omics Analysis Reveal Key Targets and Mechanisms of Saikosaponin B1 Against Acute Lung Injury. Metabolites. 2025; 15(12):782. https://doi.org/10.3390/metabo15120782

Chicago/Turabian Style

Niu, Yuanfei, Meiting Liu, Shuang Cui, Kaiyang Liu, Mengyuan Yang, Xiaozhen Hu, Changhui Zheng, Lianmei Wang, and Junling Cao. 2025. "Integrative Network Pharmacology and Multi-Omics Analysis Reveal Key Targets and Mechanisms of Saikosaponin B1 Against Acute Lung Injury" Metabolites 15, no. 12: 782. https://doi.org/10.3390/metabo15120782

APA Style

Niu, Y., Liu, M., Cui, S., Liu, K., Yang, M., Hu, X., Zheng, C., Wang, L., & Cao, J. (2025). Integrative Network Pharmacology and Multi-Omics Analysis Reveal Key Targets and Mechanisms of Saikosaponin B1 Against Acute Lung Injury. Metabolites, 15(12), 782. https://doi.org/10.3390/metabo15120782

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