Identifying the molecular basis of Jinhong tablets against chronic superficial gastritis via chemical profile identification and symptom-guided network pharmacology analysis

Danfeng Shi; Lingxian Liu; Haibo Li; Dabo Pan; Xiaojun Yao; Wei Xiao; Xinsheng Yao; Yang Yu

doi:10.1016/j.jpha.2021.01.005

Volume 12 Issue 1

Feb. 2022

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Article Navigation > Journal of Pharmaceutical Analysis > 2022 > 12(1): 65-76

Danfeng Shi, Lingxian Liu, Haibo Li, Dabo Pan, Xiaojun Yao, Wei Xiao, Xinsheng Yao, Yang Yu. Identifying the molecular basis of Jinhong tablets against chronic superficial gastritis via chemical profile identification and symptom-guided network pharmacology analysis[J]. Journal of Pharmaceutical Analysis, 2022, 12(1): 65-76. doi: 10.1016/j.jpha.2021.01.005

Citation:

Danfeng Shi, Lingxian Liu, Haibo Li, Dabo Pan, Xiaojun Yao, Wei Xiao, Xinsheng Yao, Yang Yu. Identifying the molecular basis of Jinhong tablets against chronic superficial gastritis via chemical profile identification and symptom-guided network pharmacology analysis[J]. Journal of Pharmaceutical Analysis, 2022, 12(1): 65-76. doi: 10.1016/j.jpha.2021.01.005

Citation:

Danfeng Shi, Lingxian Liu, Haibo Li, Dabo Pan, Xiaojun Yao, Wei Xiao, Xinsheng Yao, Yang Yu. Identifying the molecular basis of Jinhong tablets against chronic superficial gastritis via chemical profile identification and symptom-guided network pharmacology analysis[J]. Journal of Pharmaceutical Analysis, 2022, 12(1): 65-76. doi: 10.1016/j.jpha.2021.01.005

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Identifying the molecular basis of Jinhong tablets against chronic superficial gastritis via chemical profile identification and symptom-guided network pharmacology analysis

doi: 10.1016/j.jpha.2021.01.005

Danfeng Shi^a,
Lingxian Liu^a,
Haibo Li^b,
Dabo Pan^a,
Xiaojun Yao^c,
Wei Xiao^{b
,
,},
Xinsheng Yao^{a
,
,},
Yang Yu^{a
,
,}

a. Institute of Traditional Chinese Medicine & Natural Products, College of Pharmacy and Guangdong Province Key Laboratory of Pharmacodynamic Constituents of TCM and New Drug Research, Jinan University, Guangzhou, 510632, China;
b. Kanion Pharmaceutical Co., Ltd., State Key Laboratory of New-tech for Chinese Medicine Pharmaceutical Process, Lianyungang, Jiangsu, 222001, China;
c. State Key Laboratory of Quality Research in Chinese Medicine, Macau Institute for Applied Research in Medicine and Health, Macau University of Science and Technology, Taipa, Macau, China

Funds:

This research was funded by the National Natural Science Foundation of China (Grant Nos.: 81903426 and 81803347). We are grateful for the high-performance computing platform at Jinan University, China, which was used to carry out this study.

Received Date: Jun. 05, 2020
Accepted Date: Jan. 27, 2021
Rev Recd Date: Jan. 27, 2021
Publish Date: Jan. 31, 2021

Abstract

Abstract

Chronic superficial gastritis (CSG) is a common disease of the digestive system that possesses a serious pathogenesis. Jinhong tablet (JHT), a traditional Chinese medicine (TCM) prescription, exerts therapeutic effects against CSG. However, the molecular basis of its therapeutic effect has not been clarified. Herein, we employed ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC-Q/TOF-MS) based chemical profile identification to determine the chemical components in JHT. Further, we applied network pharmacology to illustrate its molecular mechanisms. A total of 96 chemical constituents were identified in JHT, 31 of which were confirmed using reference standards. Based on the bioinformatics analysis using the symptom-guided pharmacological networks of “chi,” “blood,” “pain,” and “inflammation,” and target screening through the interaction probabilities between compounds and targets, matrix metalloproteinase 2 (MMP2), dopamine d2 receptor (DRD2), and Aldo-keto reductase family 1 member B1 (AKR1B1) were identified as key targets in the therapeutic effect exhibited by JHT against CSG. Moreover, according to the inhibitory activities presented in the literature and binding mode analysis, the structural types of alkaloids, flavonoids, organic acids, including chlorogenic acid ( 10 ), caffeic acid ( 13 ), (−)-corydalmine ( 33 ), (−)-isocorypalmine ( 36 ), isochlorogenic acid C ( 38 ), isochlorogenic acid A ( 41 ), quercetin-3-O-α-l-rhamnoside ( 42 ), isochlorogenic acid B ( 47 ), quercetin ( 63 ), and kaempferol ( 70 ) tended to show remarkable activities against CSG. Owing to the above findings, we systematically identified the chemical components of JHT and revealed its molecular mechanisms based on the symptoms associated with CSG.
- Chronic superficial gastritis,
- Jinhong tablets,
- UPLC-Q/TOF-MS,
- Symptom-guided network pharmacology,
- Molecular docking

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References(55)

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