Combinatorial chemistry & high throughput screening最新文献

{"title":"A Study on the Anti-Inflammatory and Antibacterial Effects of Huanglian Jiedu Decoction in the Treatment of Pressure Injuries.","authors":"Jing Gao, Dingxi Bai, Wenting Ji, Lin Zhu, Xianying Lu, Wei Wang, Chaoming Hou","doi":"10.2174/0113862073240207250424192712","DOIUrl":"https://doi.org/10.2174/0113862073240207250424192712","url":null,"abstract":"<p><strong>Objective: </strong>Pressure Injuries (PIs) severely affect the quality of life of patients. Infection and inflammation are key factors contributing to the progression of pressure injuries; therefore, their inhibition plays a crucial role in preventing the worsening of the condition. Huanglian Jiedu Decoction (HLJDD), as a typical traditional Chinese medicine with heat-clearing and detoxicating effects, has good broad-spectrum antibacterial and anti-inflammatory effects. It is commonly used in the treatment of clinically infected external wounds. However, the therapeutic effects of HLJDD on PI remains unclear.</p><p><strong>Methods: </strong>The extract of HLJDD was prepared using the water extraction and alcohol precipitation method. Sixty male SD rats were randomly divided into five groups (n = 12/group): control group, model group, normal saline group (negative control group), iodophor group (positive control group), and HLJDD group (test group). Except for the control group, magnet clamping and the Staphylococcus aureus inoculation method were used to construct the model of stage 3 PI infection wound in the other groups. After irrigating the wound, the healing rate, bacterial concentration, concentrations of IL-1, IL-6, and TNFα, and the protein expression levels of TLR2, MyD88, and NF-Bp65 were examined. Skin and ocular mucosal irritation tests were conducted to evaluate the safety of the topical application of HLJDD.</p><p><strong>Results: </strong>Rats treated with HLJDD exhibited an improved wound healing rate, along with reduced bacterial concentration on the wound surface and a significant decrease in the content of inflammatory cytokines (IL-1β, IL-6, and TNF-α). The protein expression levels of TLR2, MyD88, and NF-κBp65 were down-regulated after the administration of HLJDD. The prepared HLJDD did not cause any irritation.</p><p><strong>Conclusion: </strong>HLJDD can promote the healing of PI wounds and has a protective effect on PI through its anti-inflammatory and anti-bacterial properties.</p>","PeriodicalId":10491,"journal":{"name":"Combinatorial chemistry & high throughput screening","volume":" ","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144075883","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Expression, Prognostic Significance, and Immune-Related Roles of ABCA Family Genes in Gastric Cancer: A Comprehensive Analysis.","authors":"Yongli Hu, Tianxiang Liu, Yan Du, Zhisheng Qiu, Mingxu Da, Pengxue Mao","doi":"10.2174/0113862073356415250423045501","DOIUrl":"https://doi.org/10.2174/0113862073356415250423045501","url":null,"abstract":"<p><strong>Background: </strong>Previous studies have demonstrated that ABCA family proteins play a critical role in cholesterol transport. Cholesterol, as a major component of the cell membrane, can influence numerous physiological and pathological processes, including cell migration, cancer progression, and metastasis. Therefore, ABCA family proteins may impact cancer progression; however, their specific roles in gastric cancer remain poorly understood. Methods：In this study, we systematically assessed the expression, prognostic significance, and immune-related implications of ABCA family genes in gastric cancer (GC). Utilizing data from The Cancer Genome Atlas (TCGA) database, we compared ABCA expression profiles between GC and normal gastric mucosa. We conducted Kaplan-Meier analysis, Cox regression, and logistic regression to investigate associations with clinical characteristics, constructed ROC curves and nomograms for diagnostic evaluation, and single sample gene set enrichment analysis (ssGSEA) algorithm assessed ABCA relationships with immune cell infiltration, immune-related genes, immune checkpoint genes, the tumor immune dysfunction and exclusion (TIDE) predicts response to immuno-check inhibitor therapy, \"oncoPredict\" function for chemotherapy drug resistance analysis. We also employed Gene Set Enrichment Analysis (GSEA) to evaluate relevant signaling pathways. To validate our findings, we performed PCR to confirm ABCA expression in gastric cancer and normal gastric mucosal cells.</p><p><strong>Results: </strong>Our results demonstrate significant differential expression of most ABCA family members in GC tissues compared to normal tissues, with associations to clinicopathological parameters. Cellular experiments revealed distinct expression patterns of ABCA genes in GC cell lines, with some aligning with TCGA data and others showing variability. Differentially expressed transcripts correlated with overall survival, making ABCAs independent risk factors for GC patient survival. A validated nomogram predicted overall survival. ABCAs exhibited correlations with immune cell infiltration, co-expression with immune-associated and checkpoint genes, and implications for resistance to common therapies and immunotherapy. Enrichment analysis highlighted pathways involving the extracellular matrix, cell motility, cell death, and tumor development.</p><p><strong>Conclusion: </strong>In conclusion, ABCA family genes hold promise as prognostic biomarkers and potential immunotherapeutic targets due to their relevance in the tumor microenvironment, particularly in relation to immune cell infiltration.</p>","PeriodicalId":10491,"journal":{"name":"Combinatorial chemistry & high throughput screening","volume":" ","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144076433","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Identification of Selected Genes Associated With the Prediction of Prognosis in Bladder Cancer.","authors":"Xiao-Dong Li, Jun-Ming Zhu, Qi You, Xiao-Hui Wu, Qi Huang, Hai Cai, Yong Wei, Yun-Zhi Lin, Xiong-Lin Sun, Ning Xu, Xue-Yi Xue, Qing-Shui Zheng","doi":"10.2174/0113862073352389250407104347","DOIUrl":"https://doi.org/10.2174/0113862073352389250407104347","url":null,"abstract":"<p><strong>Background: </strong>Bladder cancer (BC) is one of the most common urological malignancies, ranking as the eleventh most common cause of cancer-related deaths worldwide. The lack of specific and sensitive prognostic biomarkers presents a significant challenge in the early diagnosis and treatment of BC.</p><p><strong>Methods: </strong>We used the Gene Expression Omnibus (GEO) dataset GSE13507 and the Cancer Genome Atlas (TCGA) database to screen differentially expressed genes related to BC. By using Weighted Gene Co-expression Network Analysis (WGCNA), two modules associated with BC were investigated in GSE13507 and TCGA. Hub genes were identified through Protein-Protein Interaction (PPI) network analysis and their functions were validated through multiple approaches, including Gene Expression Profiling Interactive Analysis (GEPIA), Western Blotting (WB) assay, Human Protein Atlas (HPA), Oncomine analysis, and quantitative Real-Time PCR (qRTPCR) analysis. Additionally, miRNAs associated with hub gene expression were identified using various databases to predict the progression and prognosis of BC.</p><p><strong>Results: </strong>WCGNA and differential gene expression analysis identified 171 common genes as target genes. Ten genes (MYH11, ACTA2, TPM2, ACTG2, CALD1, MYL9, TPM1, MYLK, SORBS1, and LMOD1) were identified using the PPI tool and the CytoHubba plugin of Cytoscape. The CALD1 and MYLK genes showed a significant prognostic value for overall survival and diseasefree survival in patients with BC. According to the HPA and Oncomine databases, CALD1 and MYLK expression levels were significantly lower in BC tissues than in normal tissues. Additionally, qRT-PCR analysis, WB assay, and immunohistochemical analysis confirmed CALD1 and MYLK as tumor suppressor genes in BC. Furthermore, miR-155 showed a significant positive correlation with MYLK.</p><p><strong>Conclusion: </strong>This study established MYLK as a direct target gene of miR-155, functioning as an actionable survival-related gene correlated with BC development.</p>","PeriodicalId":10491,"journal":{"name":"Combinatorial chemistry & high throughput screening","volume":" ","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144076434","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"State-of-the-Art Computational Investigation of Long-release Hydrochlorothiazide Formulation for Myocardial Infarction Prevention.","authors":"Rahul Maheshwari, Mayank Sharma, Sankha Bhattacharya","doi":"10.2174/0113862073376522250421022308","DOIUrl":"https://doi.org/10.2174/0113862073376522250421022308","url":null,"abstract":"<p><strong>Aim: </strong>The present investigation aims to employ a quality-by-design (QbD) approach to prioritize critical factors for the drug formulation and, thus, the number of experimental runs to be performed for the identification of critical quality attributes (CQA) while maintaining an adequate risk profile.</p><p><strong>Background: </strong>Hydrochlorothiazide (HCT), a diuretic class of drug, is often recommended with antihypertensives to prevent the problem of early morning heart attack (myocardial infarction).</p><p><strong>Method: </strong>Prior knowledge was systematically applied during the early development phase of risk assessment using the fishbone diagram and qualitative risk assessment, resulting in 17 factors that may influence the final quality of long-action hydrochlorothiazide tablets. A quantitative evaluation using Failure Mode Effect and Criticality Analysis (FMECA) was conducted on 11 preselected variables with medium and high risk, employing the Plackett-Burman (PB) design.</p><p><strong>Results: </strong>Utilizing logical reasoning, literature review, and preliminary data analysis, we minimized the number of experiments to a manageable level and further streamlined them using FMECA. Plackett-Burman design findings revealed that only three critical factors impacted selected quality attributes.</p><p><strong>Conclusion: </strong>The quality risk management tool has successfully helped to identify critical variables affecting critical quality attributes and reduce the number of experimental runs to a manageable level.</p>","PeriodicalId":10491,"journal":{"name":"Combinatorial chemistry & high throughput screening","volume":" ","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143978583","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Metabolomics and Network Pharmacology Analyses Reveal the Mechanism of Moxibustion in Knee Osteoarthritis.","authors":"Yaqiong Su, Minfeng Fang, Ziyao Qiao, Na Zheng, Yun Yang, Jingjing Li, Weijian Zhao, Yaning Zhang, Hong Zhang, Ye Li, Chunliu Wang","doi":"10.2174/0113862073365403250423070858","DOIUrl":"https://doi.org/10.2174/0113862073365403250423070858","url":null,"abstract":"<p><strong>Background: </strong>This study aimed to explore the mechanism of moxibustion in the knee by combining osteoarthritis metabolomics and network pharmacology.</p><p><strong>Methods: </strong>A rat knee osteoarthritis (KOA) model was established by intra-articular injection of papain. The efficacy of moxibustion in KOA rats was evaluated by swelling degree, pathological progress, and mobility loss of knee joint. On this basis, the metabolic mechanism of moxibustion in relieving knee osteoarthritis was analyzed by metabolomics analysis.</p><p><strong>Results: </strong>Moxibustion significantly reduced joint swelling and inflammation in the knee joint of KOA rats. Sixteen metabolites and nine metabolic pathways were found to be associated with the mechanism of action of moxibustion in metabolomics analysis results. According to network pharmacology, 3186 KOA disease targets, 158 drug targets, and 89 intersecting targets were obtained. The key targets included MAPK-3, AKT-1, RELA, MAPK-8, MAPK-14, etc. Signal pathways were found to be involved in mechanisms of moxibustion in knee osteoarthritis, such as alanine, aspartate, and glutamate metabolism, cysteine and methionine metabolism, and arginine and proline metabolism.</p><p><strong>Conclusion: </strong>The mechanism of moxibustion in knee osteoarthritis may involve alanine, aspartate, and glutamate metabolism, cysteine and methionine metabolism, arginine and proline metabolism, amino tRNA biosynthesis, and D-glutamine and D-glutamate metabolism signaling pathways with MAPK-3, AKT-1, RELA, MAPK-8, and MAPK-14 as core targets. More precise mechanisms need to be verified by further systematic molecular biology experiments.</p>","PeriodicalId":10491,"journal":{"name":"Combinatorial chemistry & high throughput screening","volume":" ","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143982840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Liuwei Dihuang Prevents Human Umbilical Vein Endothelial Cells Senescence via the JPX-STING-IRF3 Pathway","authors":"Chao Xu, Tiantian Cai, Xinghai Du","doi":"10.2174/1386207326666230901163717","DOIUrl":"10.2174/1386207326666230901163717","url":null,"abstract":"<p><strong>Background: </strong>Cellular senescence plays a crucial role in age-related diseases. Endothelial senescence is closely associated with age-related vascular disorders. This study aimed to reveal the role of traditional Chinese medicine Liuwei Dihuang (LWDH) in anti-endothelial cell senescence.</p><p><strong>Methods: </strong>Human umbilical vein endothelial cells (HUVECs) were exposed to LPS treatment to induce senescence. Senescence-associated β-galactosidase (SA-β-gal) positive staining, p53 and p16 expression, BrdU staining, and relative telomere length (RTL) experiments were conducted to estimate LPS-induced cellular senescence of HUVECs. Real-time qPCR analysis was performed to identify differentially expressed lncRNAs in LPS-induced senescent HUVECs before and after treatment with LWDH. Bioinformatics analysis and ChIP assay were conducted to explore the mechanism of JPX in the anti-endothelial cell aging effect of LWDH.</p><p><strong>Results: </strong>We first discovered that lncRNA JPX and STING-IRF3 pathways are involved in the process of anti-endothelial senescence of LWDH. Mechanistically, LWDH could reverse abnormally elevated JPX induced by LPS and inhibit the activation of STING, as well as the interaction between JPX and STING.</p><p><strong>Conclusion: </strong>Overall, our study explores the potential therapeutic value of LWDH and provides key insights into the potential avenues for preventing and treating HUVECs senescence.</p>","PeriodicalId":10491,"journal":{"name":"Combinatorial chemistry & high throughput screening","volume":" ","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10181934","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Circulating Inflammatory Proteins and Age-related Macular Degeneration: New Insights from Mendelian Randomization.","authors":"Yujin Guo, Jing Zhao, Zhiqing Chen","doi":"10.2174/0113862073373085250418113858","DOIUrl":"https://doi.org/10.2174/0113862073373085250418113858","url":null,"abstract":"<p><strong>Background: </strong>Inflammation is a key mechanism underlying age-related macular degeneration (AMD); however, the specific circulating inflammatory proteins involved remain unclear. This study investigated the causal relationship between 91 circulating inflammatory proteins and AMD using a two-sample Mendelian randomization (MR) approach.</p><p><strong>Methods: </strong>We conducted a two-sample magnetic resonance imaging MR analysis using genomewide association study (GWAS) data. Five MR methodologies were applied, with inverse variance weighting (IVW) as the primary approach. We applied false discovery rate (FDR) correction to mitigate false positives. Sensitivity analyses were performed to assess horizontal pleiotropy and heterogeneity. Additionally, Steiger's test, reverse MR analysis, and linkage disequilibrium score regression (LDSC) were used to validate the results.</p><p><strong>Results: </strong>Five inflammatory proteins demonstrated significant associations with overall AMD, including three associated with wet AMD and one associated with dry AMD. LDSC analysis indicated that, except for fibroblast growth factor-19, no genetic correlation confounded the causal relationships. Additionally, the expression of the identified proteins was unaffected by the genetic prediction of AMD.</p><p><strong>Conclusion: </strong>This study highlights the causal relationship between specific inflammatory proteins and AMD, emphasizing their potential roles in AMD pathogenesis and potential therapeutic targets.</p>","PeriodicalId":10491,"journal":{"name":"Combinatorial chemistry & high throughput screening","volume":" ","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143986167","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Review of Research on the Utilization of Ligularia Plants Based on their Functional Compositions.","authors":"Yaqiong Wang, Weifeng Dai, Cheng Yuan, Mengyang Liu, Jingyuan Wen, Mi Zhang","doi":"10.2174/0113862073367895250324054212","DOIUrl":"https://doi.org/10.2174/0113862073367895250324054212","url":null,"abstract":"<p><p>The genus Ligularia belongs to the family Asteraceae, with approximately 150 species worldwide. It is primarily distributed from Europe and the Himalayas to Japan, and it is rich in resources, with many species possessing medicinal value. According to the research reports on the functional compositions, the research progress and resource utilization of this genus were summarized from 2016 to the present. This paper aims to provide some references for the basic research results of the genus to industrialization. In general, after 2016, combined with the work of chemical and active investigation, some varieties have been applied and explored in drugs, cosmetics, food, daily necessities, pesticides, and feed, reflecting great development and value.</p>","PeriodicalId":10491,"journal":{"name":"Combinatorial chemistry & high throughput screening","volume":" ","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143982764","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-Content Screening of Wind-Dampness Dispelling Traditional Chinese Medicines against Podocyte EMT Induced by IgA1.","authors":"Jin Yu, Lingli Zhu, Yue Sun, Caifeng Zhu","doi":"10.2174/0113862073350741250410053000","DOIUrl":"https://doi.org/10.2174/0113862073350741250410053000","url":null,"abstract":"<p><strong>Aims: </strong>Immunoglobulin A (IgA) Nephropathy (IgAN) is characterized by pIgA1 deposition in the glomerular mesangium, resulting in podocyte Epithelial-to-Mesenchymal Transition (EMT). Traditional Chinese Medicines (TCMs) have been used for the treatment of IgAN for several years and have demonstrated positive efficacy. The present study aimed to establish a High-Content Screening (HCS) method for identifying wind-dampness dispelling TCM extracts that can mitigate podocyte EMT induced by pIgA1.</p><p><strong>Material and methods: </strong>IgA1 from IgAN patients was used to establish a podocyte EMT model. The expression of EMT markers, including desmin, podocalyxin, and podocin, was assessed by Immunocytofluorescence (IF). An image-based HCS method was established to identify winddampness dispelling TCMs with the anti-EMT activity of podocyte EMT by automatic acquisition and processing of dual-fluorescent labeled images.</p><p><strong>Results: </strong>A total of 21 wind-dampness-dispelling TCM extracts were screened using the HCS system, leading to the identification of eight wind-dampness-dispelling TCM extracts exhibiting anti-EMT activity. These eight extracts inhibited the pIgA-induced expression of desmin while upregulating the expression of podocalyxin and podocin.</p><p><strong>Conclusion: </strong>By quantifying the changes in the expression of EMT markers during pIgA1- induced EMT, this study successfully identified wind-dampness dispelling TCM extracts with anti-EMT properties using an HCS system. In addition, the proposed approach presents a novel avenue for the identification of wind-dampness-dispelling TCMs for the treatment of pIgA1- induced EMT.</p>","PeriodicalId":10491,"journal":{"name":"Combinatorial chemistry & high throughput screening","volume":" ","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143981481","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring the Efficacy and Mechanism of Astragalus Polysaccharide in Treating Allergic Asthma through Network Pharmacology, Bioinformatics, and Experimental Verification.","authors":"Linhan Hu, Haiyun Zhang, Yihang Zhang, Lei Wang, Honglei Zhang, Juntong Liu, Linpeng Cong, Yumei Zhou, Ji Wang, Qi Wang","doi":"10.2174/0113862073368307250409055727","DOIUrl":"https://doi.org/10.2174/0113862073368307250409055727","url":null,"abstract":"<p><strong>Background: </strong>Allergic asthma is an inflammatory disease of the airways that causes great distress to the patient's normal life. Astragalus Polysaccharide (APS) is the main active ingredient in the traditional Chinese medicine Astragalus mongholicus Bunge, which has the effect of regulating immune function.</p><p><strong>Objective: </strong>This study aimed to evaluate the effect of APS on allergic asthma and investigate its potential mechanism of action.</p><p><strong>Methods: </strong>This study utilized network pharmacology to predict the relevant targets and signaling pathways of APS treatment for allergic asthma. Subsequently, an animal model was established using Ovalbumin (OVA) induction. The efficacy of APS was verified using histopathologic staining and Airway Hyperresponsiveness (AHR) assay. Signaling pathways were examined using Western Blot (WB). Finally, bioinformatics analysis was utilized to explore the correlation between the progression of allergic asthma and signaling pathways.</p><p><strong>Results: </strong>Network pharmacology analysis identified 15 intersection targets significantly enriched in the PI3K/AKT signaling pathway. The results of molecular docking showed that small molecule drugs have a strong binding ability to target proteins. The experiments confirmed APS successfully suppressed the pathological symptoms in allergic asthma model mice. Subsequently, WB provided evidence supporting that APS has potential therapeutic effects mediated through the PI3K/AKT signaling pathway. The bioinformatics results confirmed that disease progression in allergic asthma patients does correlate with the PI3K/AKT signaling pathway.</p><p><strong>Conclusion: </strong>Our study suggests that APS may treat allergic asthma by targeting the PI3K/AKT signaling pathway. This provides a basis for preliminary research on the clinical application of APS for treating allergic asthma.</p>","PeriodicalId":10491,"journal":{"name":"Combinatorial chemistry & high throughput screening","volume":" ","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143986284","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}