College of Chemistry & Environmental Science, Guangdong Ocean University, Zhanjiang, China.
J Food Biochem. 2021 May;45(5):e13717. doi: 10.1111/jfbc.13717. Epub 2021 Apr 12.
In order to further explore the potential pharmacological activity of astaxanthin (AST), network pharmacological approaches were employed in this work to systematically investigate its affinity targets, perturbed signaling pathways, and related disease applications. First, potential targets were captured based on AST chemical structure information. Enrichment analysis was then performed using bioinformatics tools to predict the biological processes and diseases in which AST targets are involved. The results suggest that AST is involved in steroid hormone metabolism, and the regulation of glucocorticoids may be one of the potential mechanisms of its known therapeutic effects on depression and insulin resistance. Molecular docking experiments confirmed that AST can form stable binding to several key nodes (SRD5A2, STS, AKR1C2, HSD11B1, and CYP17A1) in steroid hormone biosynthesis. More importantly, the molecular targets of AST were the most significantly associated with endometriosis. Functionally, grouped analysis of key therapeutic nodes was carried out by establishing the interaction network between drug targets and disease targets. While exerting inflammatory effects, the regulation of estrogen and other semiochemicals by targeting steroid metabolism may be the biological basis for the potential treatment of endometriosis with AST. This work provides a theoretical basis for further exploring the pharmacological mechanisms of AST and development of new therapeutic applications. PRACTICAL APPLICATIONS: In this study, systematic pharmacological methods were used to identify the potential therapeutic effects and associated mechanisms of astaxanthin, providing a bioinformatics basis for further exploration of astaxanthin's new pharmacological properties in foods.
为了进一步探索虾青素（AST）的潜在药理活性，本研究采用网络药理学方法系统研究其亲和靶点、失调信号通路和相关疾病应用。首先，根据 AST 化学结构信息捕获潜在靶点。然后，使用生物信息学工具进行富集分析，以预测 AST 靶点涉及的生物学过程和疾病。结果表明，AST 参与类固醇激素代谢，调节糖皮质激素可能是其已知抗抑郁和胰岛素抵抗治疗作用的潜在机制之一。分子对接实验证实，AST 可以与类固醇激素生物合成中的几个关键节点（SRD5A2、STS、AKR1C2、HSD11B1 和 CYP17A1）形成稳定结合。更重要的是，AST 的分子靶标与子宫内膜异位症的相关性最高。通过建立药物靶点和疾病靶点之间的相互作用网络，对关键治疗节点进行分组分析。AST 通过靶向类固醇代谢调节雌激素和其他半化学物质发挥抗炎作用，可能是其治疗子宫内膜异位症的潜在生物学基础。这项工作为进一步探索 AST 的药理机制和开发新的治疗应用提供了理论依据。实际应用：本研究采用系统药理学方法鉴定虾青素的潜在治疗效果和相关机制，为进一步探索虾青素在食品中的新药理特性提供了生物信息学基础。
