Anti-inflammatory material basis and mechanism of Artemisia stolonifera based on UPLC-Q-TOF-MS combined with network pharmacology and molecular docking.
10.19540/j.cnki.cjcmm.20230224.201
- Author:
Le CHEN
1
;
Yun-Yun ZHU
1
;
Li-Ping KANG
2
;
Chao-Wei GUO
1
;
Yu-Qiao WANG
1
;
Shuang-Ge LI
1
;
Hong-Zhi DU
3
;
Da-Hui LIU
1
Author Information
1. Resource Center for Chinese Materia Medica, Hubei University of Chinese Medicine Wuhan 430065, China.
2. State Key Laboratory Breeding Base of Dao-di Herbs, National Resource Center for Chinese Materia Medica,China Academy of Chinese Medical Sciences Beijing 100700, China.
3. Resource Center for Chinese Materia Medica, Hubei University of Chinese Medicine Wuhan 430065, China State Key Laboratory Breeding Base of Dao-di Herbs, National Resource Center for Chinese Materia Medica,China Academy of Chinese Medical Sciences Beijing 100700, China.
- Publication Type:Journal Article
- Keywords:
Artemisia stolonifera;
UPLC-Q-TOF-MS;
anti-inflammation;
ethyl acetate fraction;
molecular docking;
molecular mechanism;
network pharmacology
- MeSH:
Antioxidants/chemistry*;
Molecular Docking Simulation;
Artemisia;
Network Pharmacology;
Phosphatidylinositol 3-Kinases;
Anti-Inflammatory Agents/chemistry*;
Drugs, Chinese Herbal/pharmacology*;
Interleukin-6
- From:
China Journal of Chinese Materia Medica
2023;48(14):3701-3714
- CountryChina
- Language:Chinese
-
Abstract:
This study aimed to explore the anti-inflammatory material basis and molecular mechanism of Artemisia stolonifera based on the analysis of the chemical components in different extracted fractions of A. stolonifera and their antioxidant and anti-inflammatory effects in combination with network pharmacology and molecular docking. Thirty-two chemical components were identified from A. stolonifera by ultra-performance liquid chromatography coupled to tandem quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF-MS). Among them, there were 7, 21 and 22 compounds in water, n-butanol and ethyl acetate fractions, respectively. The antio-xidant capacity of different extracted fractions was evaluated by measuring their scavenging ability against 1,1-diphenyl-2-picrylhydrazyl radical 2,2-diphenyl-1-(2,4,6-trinitrophenyl) hydrazyl(DPPH) and 2,2'-azinobis-(3-ethylbenzthiazoline-6-sulphonic acid)(ABTS) free radicals and total antioxidant capacity [ferric reducing antioxidant power(FRAP) assay]. The inflammatory model of RAW264.7 cells was induced by lipopolysaccharide(LPS), and the levels of nitrite oxide(NO), tumor necrosis factor-α(TNF-α), interleukin-6(IL-6) in the supernatant and the mRNA expression of related inflammatory factors in cells were used to evaluate the anti-inflammatory effects. The results revealed that ethyl acetate fraction of A. stolonifera was the optimal antioxidant and anti-inflammatory fraction. By network pharmacology, it was found that flavonoids such as rhamnazin, eupatilin, jaceosidin, luteolin and nepetin could act on key targets such as TNF, serine/threonine protein kinase 1(AKT1), tumor protein p53(TP53), caspase-3(CASP3) and epidermal growth factor receptor(EGFR), and regulate the phosphatidylinositol-3-kinase-protein kinase B(PI3K-AKT) and mitogen-activated protein kinase(MAPK) signaling pathways to exert the anti-inflammatory effects. Molecular docking further indicated excellent binding properties between the above core components and core targets. This study preliminarily clarified the anti-inflammatory material basis and mechanism of ethyl acetate fraction of A. stolonifera, providing a basis for the follow-up clinical application of A. stolonifera and drug development.
