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CC BY 4.0 · Pharmaceutical Fronts 2024; 06(02): e155-e182
DOI: 10.1055/s-0044-1787123
Original Article

Pharmacological Material Basis of Chushi Weiling Decoction and Its Mechanism in Eczema and Herpes Zoster Based on UPLC-Q-TOF-MS, GC-MS, and Network Pharmacology

Junxuan Ren
1   National Key Lab. of Lead Druggability Research, Shanghai Institute of Pharmaceutical Industry Co., Ltd., China State Institute of Pharmaceutical Industry, Shanghai, People's Republic of China
,
Yan Wang
1   National Key Lab. of Lead Druggability Research, Shanghai Institute of Pharmaceutical Industry Co., Ltd., China State Institute of Pharmaceutical Industry, Shanghai, People's Republic of China
,
Qinlin Li
1   National Key Lab. of Lead Druggability Research, Shanghai Institute of Pharmaceutical Industry Co., Ltd., China State Institute of Pharmaceutical Industry, Shanghai, People's Republic of China
,
Danwei Ouyang
1   National Key Lab. of Lead Druggability Research, Shanghai Institute of Pharmaceutical Industry Co., Ltd., China State Institute of Pharmaceutical Industry, Shanghai, People's Republic of China
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Abstract

Chushi Weiling Decoction (CWD) is a classic prescription in traditional Chinese medicine used to treat dampness-heat skin diseases. However, the material composition of CWD and its therapeutic mechanism remained largely unknown. This study aimed to investigate the pharmacological material basis of CWD and their potential therapeutic effects using ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS), gas chromatography-mass spectrometry (GC-MS), and network pharmacology. In this work, UPLC-Q-TOF-MS and GC-MS technologies were used to identify the main components of CWD. The UPLC-Q-TOF MS analysis was performed on a Thermo-Accucore aQ C18 (100 mm × 2.1 mm, 2.6 μm; ThermoFisher, United States) with a mobile phase consisting of acetonitrile–0.1% formic acid aqueous solution in MSE mode. The GC-MS analysis was performed on an HP-5MS UI (0.25 mm × 30 m × 0.25 μm; Agilent, United States) of headspace injection. Treatment mechanisms of eczema and herpes zoster were explored using network pharmacology methods and enrichment analysis. Our data showed that there were 194 compounds identified using UPLC-Q-TOF-MS and 92 compounds identified using GC-MS. The mass spectrometric fragmentation rules of terpenoids, flavonoids, phenylpropanoids, phenolic acid esters, and alkaloids in CWD were summarized. Network pharmacology provided targets and pathways, and molecular docking indicated that alisol J 23-acetate, kaempferol, anomalin, and cinnamaldehyde tend to combine with target proteins in a good case at a low level of binding energy. Given the above, this study provides a reference for the material basis of CWD, and suggests that CWD may play a therapeutic role in eczema and herpes zoster by (1) anti-inflammatory, antiviral, mediating immune response; and (2) regulating steroid metabolism.

Keywords

classic prescription - Chushi Weiling Decoction - network pharmacology - molecular docking


Publication History

Received: 20 November 2023

Accepted: 27 April 2024

Article published online:
31 May 2024

© 2024. The Author(s). This is an open access article published by Thieme under the terms of the Creative Commons Attribution License, permitting unrestricted use, distribution, and reproduction so long as the original work is properly cited. (https://creativecommons.org/licenses/by/4.0/)

Georg Thieme Verlag KG
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