Effects of isorhyncophylline on hippocampal metabolism using 1H NMR-based metabolomics combined with molecular docking analysis
10.16438/j.0513-4870.2021-1568
- VernacularTitle:基于1H NMR代谢组学及分子对接技术的异钩藤碱调控自发性高血压大鼠海马代谢研究
- Author:
Guan-jie WANG
1
;
Hai-tao ZHENG
2
;
Zhen DU
1
;
Wen-jie YANG
1
;
Yue-chen WANG
1
;
Hai-qiang JIANG
3
;
Zhen-hua TIAN
3
Author Information
1. School of Pharmaceutical Sciences, Shandong University of Traditional Chinese Medicine, Jinan 250355, China
2. Pingdu People's Hospital, Qingdao 266700, China
3. Experimental Center, Shandong University of Traditional Chinese Medicine, Jinan 250355, China; Shandong Provincial Key Laboratory of Traditional Chinese Medicine for Basic Research, Jinan 250355, China; Key Laboratory of Traditional Chinese Medicine Classical Theory, Ministry of Education, Shandong University of Traditional Chinese Medicine, Jinan 250355, China
- Publication Type:Research Article
- Keywords:
hypertension;
metabolomics;
molecular docking;
isorhyncophylline;
hippocampus
- From:
Acta Pharmaceutica Sinica
2022;57(5):1452-1458
- CountryChina
- Language:Chinese
-
Abstract:
The purpose of this study was to investigate the effect of isorhyncophylline on hippocampal endogenous metabolites in spontaneously hypertensive rats (SHR) by 1H NMR metabolomics and molecular docking. Twelve SHR were randomly divided into a model group and a treatment group. Six Wistar-Kyoto rats were selected as a control group. The rats in the treatment group were administered isorhyncophylline (0.3 mg·kg-1) while the rats in the other two groups were treated with the same amount of sterilized saline solution. Animal experiment was authorized by the Ethics Committee of Shandong University of Traditional Chinese Medicine (No. SDUTCM20210721002). Hippocampal tissues were removed after administration for 8 weeks and assayed by 1H NMR based metabolomics technology combined with a pattern recognition method to find characteristic metabolites, and the metabolic targets were retrieved from the Kyoto Encyclopedia of Genes and Genomes database. Molecular docking technology was used to evaluate binding of isorhyncophylline to the core targets. The results of a principal components analysis (PCA) and partial least squares discriminant analysis (PLS-DA) showed a clear cluster of samples among three groups. There were seven differentially altered metabolites, and glucose metabolism and glutamate metabolism were the principal related pathways. Molecular docking indicated that isorhyncophylline had good binding properties with nine key candidate target proteins. According to the above research results, isorhyncophylline can influence energy metabolism and glutamate metabolism in the hippocampus.
