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Effects of isorhyncophylline on hippocampal metabolism using 1H NMR-based metabolomics combined with molecular docking analysis
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Guan-jie WANG1, Hai-tao ZHENG2, Zhen DU1, Wen-jie YANG1, Yue-chen WANG1, Hai-qiang JIANG3, 4, 5, Zhen-hua TIAN3, 4, 5, *
Acta Pharmaceutica Sinica | 2022, 57(5) : 1452 - 1458
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Acta Pharmaceutica Sinica | 2022, 57(5): 1452-1458
• Original Articles •
Effects of isorhyncophylline on hippocampal metabolism using 1H NMR-based metabolomics combined with molecular docking analysis
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Guan-jie WANG1, Hai-tao ZHENG2, Zhen DU1, Wen-jie YANG1, Yue-chen WANG1, Hai-qiang JIANG3, 4, 5, Zhen-hua TIAN3, 4, 5, *
Affiliations
  • 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
  • 4. Shandong Provincial Key Laboratory of Traditional Chinese Medicine for Basic Research, Jinan 250355, China
  • 5. Key Laboratory of Traditional Chinese Medicine Classical Theory, Ministry of Education, Shandong University of Traditional Chinese Medicine, Jinan 250355, China
Published: 2022-05-12 doi: 10.16438/j.0513-4870.2021-1568
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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.

hypertension  /  metabolomics  /  molecular docking  /  isorhyncophylline  /  hippocampus
Guan-jie WANG, Hai-tao ZHENG, Zhen DU, Wen-jie YANG, Yue-chen WANG, Hai-qiang JIANG, Zhen-hua TIAN. Effects of isorhyncophylline on hippocampal metabolism using 1H NMR-based metabolomics combined with molecular docking analysis[J]. Acta Pharmaceutica Sinica, 2022 , 57 (5) : 1452 -1458 . DOI: 10.16438/j.0513-4870.2021-1568
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Article Info
doi: 10.16438/j.0513-4870.2021-1568
  • Receive Date：2021-11-01
  • Online Date：2025-12-23
  • Published：2022-05-12
Article Data
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History
  • Received：2021-11-01
  • Revised：2022-03-23
Funding
Affiliations
    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
    4. Shandong Provincial Key Laboratory of Traditional Chinese Medicine for Basic Research, Jinan 250355, China
    5. Key Laboratory of Traditional Chinese Medicine Classical Theory, Ministry of Education, Shandong University of Traditional Chinese Medicine, Jinan 250355, China
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表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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