Exploration of the Potential Mechanisms of Yinqiao Powder in Treating Atopic Dermatitis: Integrating Network Pharmacology, Single-Cell, and Bulk RNA Sequencing
Jul 2026· Journal of Asthma and Allergy· Vol 19, pp. 1-25· 0 citations· 105 references
Medicine
TL;DR
It is indicated that CTNNB1, ERBB2, TP53, and HIF1A are key targets of YQP in AD treatment, with beta-carotene, aloe-emodin, and quercetin as likely active components.
Abstract
Purpose Yinqiao powder (YQP) is a traditional Chinese medicine formula that has been widely used clinically to treat infectious diseases such as respiratory tract infections, influenza, and pneumonia, exhibiting anti-inflammatory and antiviral properties. This study aimed to investigate its therapeutic potential for atopic dermatitis (AD) and to identify its key target genes and active components. Methods We performed mRNA transcriptome sequencing on blood samples collected from 15 adult patients with AD and 15 adult healthy controls. Potential targets were identified by intersecting differentially expressed genes (DEGs) with known YQP target genes. Key genes were pinpointed using protein-protein interaction networks and receiver operating characteristic (ROC) curve analysis. We estimated immune cell proportions, constructed regulatory networks, and used molecular docking to predict active ingredients. Single-cell RNA sequencing data (GSE180885) was also analyzed to identify key cell types and track gene expression. Results Fifty-two potential target genes were identified. From these, four key genes—CTNNB1, ERBB2, TP53, and HIF1A—were highlighted, potentially involved in carbon metabolism and organelle biosynthesis. A nomogram model based on these genes showed strong predictive power for AD. Immune analysis linked resting CD4+ memory T cells with TP53 and HIF1A. Molecular docking suggested beta-carotene, aloe-emodin, and quercetin as potential active ingredients binding to these key targets. Single-cell analysis identified keratinocytes as a key population, with key gene expression varying during their differentiation. Conclusion This study indicates that CTNNB1, ERBB2, TP53, and HIF1A are key targets of YQP in AD treatment, with beta-carotene, aloe-emodin, and quercetin as likely active components. These findings provide a theoretical basis for using YQP in AD therapy.
Background Alopecia areata (AA) is a common non-scarring autoimmune disease with a complex pathogenesis, high recurrence rates, and difficulty in achieving a cure. Recent years have seen an increasing focus on both clinical and basic research regarding AA. Hejie Shengfa Decoction (HSD), a traditional Chinese medicine formula, has shown certain efficacy in the clinical treatment of AA, though its underlying mechanisms remain unclear. Methods In this study, we retrieved the active ingredients of HSD and their associated targets from public databases. We then identified AA-related targets through bioinformatics analysis of publicly available AA datasets. A protein-protein interaction (PPI) network was constructed to generate the HSD-AA action network by integrating drug-specific targets and disease-related targets. Functional enrichment analysis was subsequently performed. To further investigate key genes, three machine learning algorithms—least absolute shrinkage and selection operator (LASSO) regression, support vector machine-recursive feature elimination (SVM-RFE), and Random Forest—were applied Additionally, immune cell infiltration analysis was carried out to examine the roles of these key genes in the local immune microenvironment. Molecular docking and molecular dynamics simulations were employed to assess the binding stability of the active ingredients with the core targets. Results The results revealed that HSD contains 96 active ingredients and 985 related targets. From the AA dataset, 955 differentially expressed genes and 492 co-expressed modular genes were identified, resulting in 23 intersecting genes after integration. Machine learning algorithms identified four key target genes among these 23. Immune infiltration analysis suggested that HSD could influence the immune microenvironment of AA by modulating the expression of these key targets. Molecular docking and molecular dynamics simulations confirmed strong and stable binding interactions between HSD’s main active ingredients—especially quercetin—and the core targets. Conclusion This study elucidates the potential of HSD as a treatment for AA and provides insights into its mechanisms of action, offering a novel approach for treating AA with multi-targeted traditional Chinese medicine.
This study provides experimental evidence supporting the protective effects of DSP against UC, with its actions likely mediated, at least in part, through the modulation of Th17 cell differentiation.
Yanxia Huang, Q. Lin, Min Zhu et al.· Combinatorial chemistry & hi...· 0 citations
It is suggested that Huangqin exerts multi-target effects on AD, centered on AKT1-mediated signaling crosstalk, to regulate inflammatory and immune pathways.
The findings suggest that YFC may exert therapeutic effects in stable COPD through multi-component, multi-target regulation of the PI3K-Akt pathway and related inflammatory signaling networks.
INTRODUCTION
Antipsychotic-induced hyperprolactinemia (HPRL) is a prevalent and troubling side effect that impairs treatment adherence. Xuefu Zhuyu Pills (XFZY), a traditional Chinese medicine formula, have shown efficacy in clinical practice; however, their active components and mechanisms of action remain unknown.
METHODS
We identified the components of XFZY in human plasma by UPLC-Q-TOF-MS/MS and performed network pharmacology analysis to screen key targets and core active components through topological analysis. Intersecting targets were subjected to GO and KEGG enrichment analyses on Metascape, followed by molecular docking and molecular dynamics simulations to assess binding stability between core active components and key targets.
RESULTS
A total of 67 absorbed components were found in human plasma. Based on the network pharmacology results, we identified seven core targets (AKT1, ESR1, IL6, TNF, ERBB2, CTNNB1, and MAOA) and three potential active ingredients (Makisterone B, 3-O-beta-Dglucopyranosylplatycodigenin, and 4',5,6,7-Tetramethoxyflavone). GO and KEGG suggested that hormone level regulation, the neuroactive ligand-receptor interaction, the apelin signaling pathway, and the cGMP-PKG signaling pathway may play key roles in treating HPRL caused by antipsychotic drugs.
DISCUSSION
Molecular docking results showed that the core active ingredient binds well with the key targets, and molecular dynamics simulations further verified their stability.
CONCLUSION
This study preliminarily revealed the components in human plasma of XFZY in HPRL treatment and their potential pharmacological mechanism. These findings provide a scientific basis for clinical studies.
Mingyue Liu, Zihuan Zhang, Guanli Su et al.· Combinatorial chemistry & hi...· 0 citations
It is demonstrated that XTBLD exerts cardioprotective effects against DCM via regulating its key active components, core targets (CDKN1A, IGFBP3), and related signaling pathways, providing a scientific basis for XTBLD's clinical application in DCM management.
Min Wang, Kaijie Xie, Hao Liu et al.· Current pharmaceutical desig...· 0 citations