Mechanism Prediction of Banxia Baizhu Tianmatang and Danggui Shaoyaosan Intervention in Ménière's Disease Based on LC-MS Technology Combined with Network Bioinformatics
10.13422/j.cnki.syfjx.20250819
- VernacularTitle:基于LC-MS技术联合生物信息学预测半夏白术天麻汤和当归芍药散干预梅尼埃病的机制
- Author:
Xingye ZHU
1
;
Jiaxiang YU
1
;
Ziyue YUAN
2
;
Shengrong GUO
1
;
Jianyu DAI
1
Author Information
1. Liaoning University of Traditional Chinese Medicine，Shenyang 110847，China
2. Shenyang Pharmaceutical University， Shenyang 110016，China
- Publication Type:Journal Article
- Keywords:
Banxia Baizhu Tianmatang combined with Danggui Shaoyaosan;
Meniere's disease;
blood-absorbed components;
nuclear factor-κB（NF-κB）;
inflammatory response
- From:
Chinese Journal of Experimental Traditional Medical Formulae
2025;31(24):50-60
- CountryChina
- Language:Chinese
-
Abstract:
ObjectiveThis study aims to analyze the pharmacodynamic material basis and multi-target mechanism of action of Banxia Baizhu Tianmatang combined with Danggui Shaoyaosan in the treatment of Meniere's disease（MD）. MethodsUltra-performance liquid chromatography-high resolution mass spectrometry （UPLC-HRMS） （mobile phase： gradient elution with 0.1% formic acid aqueous solution-acetonitrile. Mass spectrometry scanning range： m/z 90-1 300） was used to identify the chemical components of the compound recipe and components absorbed into blood. The core mechanism was predicted by combining network pharmacology （target screening via SwissTargetPrediction and GeneCards databases， and construction of protein-protein interaction （PPI） network by STRING） and molecular docking （evaluated by Autodock， with binding energy ≤ -5.0 kcal·mol-1）. For animal experiment validation， 36 Sprague Dawley （SD） rats were divided into a blank group， a model group （postauricular injection of lipopolysaccharide （LPS） at 1 mg·kg-1）， low/medium/high-dose Chinese medicine groups （5.94， 11.88， and 23.76 g·kg-1·d-1， respectively）， and Western medicine group （betahistine at 0.1 mg·kg-1·d-1）. After eight weeks of intervention， the gene and protein expressions in cochlear tissue were detected. Results①A total of 2 831 chemical components and 173 components absorbed into blood were identified， with terpenoids showing the highest absorption rate into blood（10.28%）. ②60 common drug-disease targets were screened， with core targets including tumor necrosis factor-α（TNF-α），interleukin-6（IL-6）， Toll-like receptor 4（TLR4）， angiotensin-converting enzyme（ACE）， and endothelial nitric oxide synthase 3（NOS3）.These targets were enriched in the nuclear factor-κB（NF-κB） signaling pathway and renin-angiotensin system（P<0.05）. Molecular docking showed that the active component YC-1 had a strong binding ability to TNF（binding energy-9.66 kcal·mol-1）. ③In animal experiments， the high-dose Chinese medicine group significantly down-regulated the expression of pro-inflammatory factors TNF mRNA（P<0.01）and up-regulated vascular regulatory factors NOS3 protein（P<0.01）， and alleviated cochlear pathological damage［hematoxylin eosin （HE） score： from 4 to 2］. ConclusionThis compound recipe synergistically regulates the TNF/NF-κB inflammatory pathway and ACE/NOS3 vascular homeostasis pathway through flavonoids， triterpenoids， and other components， thereby inhibiting endolymphatic hydrops and cochlear damage. It provides a scientific basis for the theory of "simultaneous treatment of phlegm and blood stasis" in traditional Chinese medicine.
