Exploring the Material Basis of Guben Qushi Huayu Prescription in the Treatment of Psoriasis Recurrence Based on Constituents Absorbed into Blood Analysis and Molecular Docking Techniques
10.13359/j.cnki.gzxbtcm.2025.01.026
- VernacularTitle:基于入血成分分析和分子对接技术探讨固本祛湿化瘀方治疗银屑病复发的物质基础
- Author:
Haiming CHEN
1
;
Qi WANG
;
Xuwei ZHENG
;
Yujie YANG
;
Yanjuan ZHAI
;
Song LI
;
Shengjun CHEN
;
Xiehe WANG
;
Bin TANG
;
Yiliang XU
;
Chuanjian LU
Author Information
1. 省部共建中医湿证国家重点实验室(广州中医药大学第二附属医院),广东广州 510120;粤港澳中医药与免疫疾病研究联合实验室,广东广州 510120
- Keywords:
Guben Qushi Huayu Prescription;
psoriasis;
active ingredients;
constituents absorbed into blood;
UPLC-Q-TOF/MS;
molecular docking;
mice
- From:
Journal of Guangzhou University of Traditional Chinese Medicine
2025;42(1):176-184
- CountryChina
- Language:Chinese
-
Abstract:
Objective To clarify the active ingredients and the potential molecular mechanism of Guben Qushi Huayu Prescription in treating psoriasis recurrence.Methods An ultra performance liquid chromatography-quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF/MS)was applied to analyze the whole formula and the constituents absorbed into blood of Guben Qushi Huayu Prescription,and molecular docking technology was used to study the binding affinity of the constituents absorbed into blood with psoriasis-related immunomodulatory proteins such as CD69 and CD103 proteins.Results Mass spectrometry analysis identified 21 active ingredients such as paeoniflorin in Guben Qushi Huayu Prescription,including several known anti-inflammatory and immunomodulatory compounds.Analysis of the constituents absorbed into blood identified 11 ingredients,including paeoniflorin,that may affect the course of psoriasis through blood circulation.Molecular docking studies revealed that the constituents absorbed into blood,including astilbin,isoastilbin,chlorogenic acid,neochlorogenic acid,cryptochlorogenic acid,helicine,paeoniflorin,ononin,all had high binding affinities with CD69 and CD103 proteins.Conclusion This research reveals the main active ingredients of Guben Qushi Huayu Prescription and their potential mechanism for regulating the recurrence of psoriasis by mass spectrometry and molecular docking technology,contributing to providing scientific basis for further pharmacological research and clinical application.
