Zargar Seema, Wani Tanveer A, Rizwan Ahamad Syed
Department of Biochemistry, College of Science, King Saud University, Riyadh 11495, Saudi Arabia.
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia.
Life (Basel). 2023 Feb 14;13(2):526. doi: 10.3390/life13020526.
Wheat germ oil (WGO) is the richest source of unexplored antioxidants and anti-inflammatory compounds. In this study, we identified the constituents of WGO by gas chromatography-mass spectrometry (GC-MS). The physicochemical and pharmacokinetic behaviors were evaluated for the top 12 constituents with the common target FABP4. Three fatty acids with significant anti-inflammatory activity were evaluated for their interaction with FABP4 by molecular docking. The molecular mechanisms involved in anti-inflammatory responses were analyzed by various analytical tools and multidimensional data analysis. WGO showed anti-inflammatory activities via FABP4 interacting physically with target genes (77.84%) and by co-expressing with 8.01% genes. Primary targets for inflammatory pathways were PPARα, PPARγ, LPL, LEP, and ADIPOQ, as depicted by gene network enrichment analysis. The key pathways implicated were the metabolism of lipids, PPAR signaling, cellular response to alcohol, oxygen and nitrogen pathway, inflammatory response pathway, and regulation of the inflammatory pathway. The common transcription factors implicated were HNF1, AP2α, CEBP, FOX, STATS, MYC, Zic, etc. In this study, we found that WGO possesses anti-inflammatory potential via FABP4 binding to PPARα, PPARγ, LPL, LEP, and ADIPOQ gene expression by regulatory transcription factors HNF, AP2α, and CEPB.
小麦胚芽油（WGO）是未被探索的抗氧化剂和抗炎化合物的最丰富来源。在本研究中，我们通过气相色谱 - 质谱联用（GC-MS）鉴定了WGO的成分。针对具有共同靶点FABP4的前12种成分评估了其物理化学和药代动力学行为。通过分子对接评估了三种具有显著抗炎活性的脂肪酸与FABP4的相互作用。通过各种分析工具和多维数据分析分析了抗炎反应所涉及的分子机制。WGO通过FABP4与靶基因的物理相互作用（77.84%）以及与8.01%的基因共表达表现出抗炎活性。基因网络富集分析表明，炎症途径的主要靶点是PPARα、PPARγ、LPL、LEP和ADIPOQ。涉及的关键途径是脂质代谢、PPAR信号传导、细胞对酒精、氧和氮途径的反应、炎症反应途径以及炎症途径的调节。涉及的常见转录因子是HNF1、AP2α、CEBP、FOX、STATS、MYC、Zic等。在本研究中，我们发现WGO通过FABP4与PPARα、PPARγ、LPL、LEP和ADIPOQ基因表达结合，经由调节转录因子HNF、AP2α和CEBP具有抗炎潜力。
