Nianpei Yin, Hui Luo, Jie Feng, Weisheng Zhan, Zheng Zhou, Ying Yang
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引用次数: 0
摘要
目的：本研究旨在通过多靶点途径，验证加味乾正散（MQZP）对动脉粥样硬化（AS）的保护作用。目的是鉴定MQZP的生物活性成分，评估其治疗潜力，并揭示其在AS中的分子机制。材料与方法：通过网络药理分析，共鉴定出124种有效成分和417种潜在治疗靶点。其中cyclo(D)- pro -(D)- phe、aurantiamide、beauverilide a和ecdysone是MQZP抗AS的关键活性成分，而核心治疗靶点包括TP53、SRC、STAT3和AKT1。此外，GO和KEGG富集分析鉴定出3417种生物成分和238种途径。结果：分子对接分析表明，主要靶点能够与各自的化合物形成稳定的键。最后，利用巨噬细胞建立ox- ldl诱导的AS泡沫细胞模型，采用Oil Red O染色、ELISA、western blotting和RTqPCR检测炎症因子、相关蛋白和mRNA水平。结论：MQZP可通过抑制IL-6/STAT3通路减轻炎症，改善AS。本研究除了为了解MQZP治疗AS的潜在作用提供理论基础和实验数据外，还为中药衍生化合物和提取物的抗动脉粥样硬化特性提供了重要的见解和新的研究方向。
Network Pharmacology and Experimental Validation of the Anti-Inflammatory Effect of Modified Qianzheng Powder in Atherosclerosis.
Objective: This study aims to validate the hypothesis that Modified Qianzheng Powder (MQZP) exerts a protective effect on atherosclerosis (AS) by targeting macrophageassociated inflammatory pathways through a multi-target approach. The objective is to identify the bioactive components of MQZP, assess its therapeutic potential, and uncover its molecular mechanisms in AS.
Materials and methods: Herein, 124 effective components and 417 potential therapeutic targets were identified through network pharmacological analysis. Among them, cyclo(D)-Pro-(D)-Phe, aurantiamide, beauverilide a, and ecdysone were the key active components of MQZP against AS, whereas the core therapeutic targets included TP53, SRC, STAT3, and AKT1. Furthermore, GO and KEGG enrichment analyses identified 3417 biological components and 238 pathways.
Results: Molecular docking analysis revealed that the primary targets were capable of forming stable bonds with their respective compounds. Finally, macrophages were used to create an ox- LDL-induced foam cell model of AS, upon which the levels of inflammatory factors, related proteins, and mRNA were assessed using Oil Red O staining, ELISA, western blotting, and RTqPCR.
Conclusions: According to the results, MQZP could alleviate inflammation and improve AS by suppressing the IL-6/STAT3 pathway. Besides a theoretical foundation and experimental data for understanding how MQZP potentially acts to treat AS, this study also offers essential insights and novel research directions regarding the anti-atherosclerotic properties of traditional Chinese medicine (TCM)-derived compounds and extracts.
期刊介绍：
Combinatorial Chemistry & High Throughput Screening (CCHTS) publishes full length original research articles and reviews/mini-reviews dealing with various topics related to chemical biology (High Throughput Screening, Combinatorial Chemistry, Chemoinformatics, Laboratory Automation and Compound management) in advancing drug discovery research. Original research articles and reviews in the following areas are of special interest to the readers of this journal:
Target identification and validation
Assay design, development, miniaturization and comparison
High throughput/high content/in silico screening and associated technologies
Label-free detection technologies and applications
Stem cell technologies
Biomarkers
ADMET/PK/PD methodologies and screening
Probe discovery and development, hit to lead optimization
Combinatorial chemistry (e.g. small molecules, peptide, nucleic acid or phage display libraries)
Chemical library design and chemical diversity
Chemo/bio-informatics, data mining
Compound management
Pharmacognosy
Natural Products Research (Chemistry, Biology and Pharmacology of Natural Products)
Natural Product Analytical Studies
Bipharmaceutical studies of Natural products
Drug repurposing
Data management and statistical analysis
Laboratory automation, robotics, microfluidics, signal detection technologies
Current & Future Institutional Research Profile
Technology transfer, legal and licensing issues
Patents.
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