Zhejiang Provincial Key Laboratory of Applied Enzymology, Yangtze Delta Region Institute of Tsinghua University, Jiaxing 314006, China.
College of Fisheries and Life Science, Shanghai Ocean University, Shanghai 201306, China.
Molecules. 2023 Nov 11;28(22):7540. doi: 10.3390/molecules28227540.
β-carotene is known to have pharmacological effects such as anti-inflammatory, antioxidant, and anti-tumor properties. However, its main mechanism and related signaling pathways in the treatment of inflammation are still unclear. In this study, component target prediction was performed by using literature retrieval and the SwissTargetPrediction database. Disease targets were collected from various databases, including DisGeNET, OMIM, Drug Bank, and GeneCards. A protein-protein interaction (PPI) network was constructed, and enrichment analysis of gene ontology and biological pathways was carried out for important targets. The analysis showed that there were 191 unique targets of β-carotene after removing repeat sites. A total of 2067 targets from the three databases were integrated, 58 duplicate targets were removed, and 2009 potential disease action targets were obtained. Biological function enrichment analysis revealed 284 biological process (BP) entries, 31 cellular component (CC) entries, 55 molecular function (MF) entries, and 84 cellular pathways. The biological processes were mostly associated with various pathways and their regulation, whereas the cell components were mainly membrane components. The main molecular functions included RNA polymerase II transcription factor activity, DNA binding specific to the ligand activation sequence, DNA binding, steroid binding sequence-specific DNA binding, enzyme binding, and steroid hormone receptors. The pathways involved in the process included the TNF signaling pathway, sphingomyelin signaling pathway, and some disease pathways. Lastly, the anti-inflammatory signaling pathway of β-carotene was systematically analyzed using network pharmacology, while the molecular mechanism of β-carotene was further explored by molecular docking. In this study, the anti-inflammatory mechanism of β-carotene was preliminarily explored and predicted by bioinformatics methods, and further experiments will be designed to verify and confirm the predicted results, in order to finally reveal the anti-inflammatory mechanism of β-carotene.
β-胡萝卜素有抗炎、抗氧化、抗肿瘤等药理作用。然而，其在炎症治疗中的主要机制及相关信号通路尚不清楚。本研究采用文献检索和 SwissTargetPrediction 数据库进行成分靶点预测，从 DisGeNET、OMIM、Drug Bank 和 GeneCards 等数据库中收集疾病靶点，构建蛋白互作（PPI）网络，并对重要靶点进行基因本体论和生物通路富集分析。分析表明，β-胡萝卜素经去重后有 191 个独特靶点。整合三个数据库共 2067 个靶点，去除 58 个重复靶点，得到 2009 个潜在疾病作用靶点。生物功能富集分析显示，β-胡萝卜素共有 284 个生物学过程（BP）条目、31 个细胞成分（CC）条目、55 个分子功能（MF）条目和 84 个细胞通路条目。生物学过程主要与各种通路及其调控有关，而细胞成分主要是膜成分。主要的分子功能包括 RNA 聚合酶 II 转录因子活性、配体激活序列特异性 DNA 结合、DNA 结合、固醇结合序列特异性 DNA 结合、酶结合和类固醇激素受体。涉及的通路包括 TNF 信号通路、鞘磷脂信号通路和一些疾病通路。最后，采用网络药理学方法系统分析了 β-胡萝卜素的抗炎信号通路，并用分子对接进一步探讨了 β-胡萝卜素的分子机制。本研究通过生物信息学方法初步探讨和预测了β-胡萝卜素的抗炎机制，进一步设计实验将对预测结果进行验证和确认，以期最终揭示β-胡萝卜素的抗炎机制。
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