Study on the Mechanism of Crataegi Fructus in Improving Metabolic Hypertension Based on Network Pharmacology and Molecular Docking

Bingbing Cheng; Guiyuan Lyu; Hansong WU; Xiang Zheng; Jiahui Huang; Xinlishang HE; Yingjie Dong; Zeqi HU; Bo LI; Suhong Chen; Ninghua Jiang

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Study on the Mechanism of Crataegi Fructus in Improving Metabolic Hypertension Based on Network Pharmacology and Molecular Docking

VernacularTitle:基于网络药理学及分子对接探讨山楂改善代谢性高血压的作用机制
Author: Bingbing CHENG ^{1
,

2} ; Guiyuan LYU ^{1
,

3} ; Hansong WU ¹ ; Xiang ZHENG ¹ ; Jiahui HUANG ¹ ; Xinlishang HE ¹ ; Yingjie DONG ¹ ; Zeqi HU ^{1
,

2} ; Bo LI ¹ ; Suhong CHEN ^{1
,

4} ; Ninghua JIANG ²
Author Information

1. Zhejiang University of Technology, Hangzhou 310014, China
2. The Second Affiliated Hospital of Jiaxing University, Jiaxing 314000, China
3. Zhejiang Chinese Medical University, Hangzhou 310053, China
4. Zhejiang Provincial Key Laboratory of TCM for Innovative R D and Digital Intelligent Manufacturing of TCM Great Health Products, Huzhou 313000, China
Publication Type:Journal Article
Keywords: Crataegi Fructus , metabolic hypertension , network pharmacology , molecular docking , glycolipid metabolism
From: Chinese Journal of Modern Applied Pharmacy 2023;40(24):3377-3388
CountryChina
Language:Chinese
Abstract: Abstract:OBJECTIVE To explore the material basis and mechanism of Crataegi Fructus in improving metabolic hypertension(MH) by using network pharmacology and molecular docking technique.METHODS The components of Crataegi Fructus were collected by HERB, ETCM database and literature survey; screening all ingredients of Crataegi Fructus to improve MH targets through databases such as SwissTargetPrediction and GeneCards; build "active ingredient-target-disease" network of Crataegi Fructus with Cytoscape software; DAVID was used to analyze GO enrichment and KEGG pathway. The core components and core targets were verified by molecular docking with Autodock software. RESULTS The total of 89 active components were screened from Crataegi Fructus and acted on 84 targets. Among them, the core active components of Crataegi Fructus to improve MH were maslinic acid, fomefficinic acid B, linolenic acid, linoleic acid, methyl-n-nonylketone, apigenin, ursolic acid, etc. The core targets were CYP19A1, PPARA, ESR1, PTGS2, PPARG, NR3C1, MMP9, TNF, etc. The mechanism of action mainly involved multiple signaling pathways such as inflammation, glycolipid metabolism, and vascular endothelial function. Molecular docking showed that the core active ingredients of Crataegi Fructus had high affinity with core targets. CONCLUSION Crataegi Fructus may regulate multiple signaling pathways such as TNF, IL-17, AGE-RAGE, HIF-1, cGMP-PKG through multi-component regulation, thereby inhibiting inflammatory response, improving glucose and lipid metabolism abnormalities, and improving vascular endothelial function, so as to comprehensively exert the role of improving MH in various aspects.