利用网络药理学和分子对接方法深入探讨向日葵籽精油治疗2型糖尿病的作用机制

Athika Rampadarath, F. Balogun, S. Sabiu
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引用次数: 1

摘要

2型糖尿病(T2D)是全球关注的主要非传染性疾病之一。了解可用的抗糖尿病药物,特别是天然产品的确切作用机制,可能有助于提供有效的治疗方案。向日葵种子具有抗糖尿病作用;然而,其作用的分子机制,尤其是精油,却缺乏。该研究探索了网络药理学和分子对接研究,以确定活性植物成分、信号通路和可能的治疗靶点,从而确定葵花籽精油的抗糖尿病潜力。初步分析确定了涉及T2D的23个靶基因和15种植物成分,它们都通过了利平斯基五规则,没有违反。KEGG分析提出了三种途径作为T2D发展的治疗靶点,PPAR是影响PPARA、FABP4、PPARD、PPARG和CPT2基因的主要途径。分子对接研究证实了活性SSEO化合物对已鉴定基因(靶点)的有效性,并确定叶醌、亚油酸、三糖基酸和木质素二酸可能是候选药物,可以在T2D管理方面提供值得称赞的治疗效果。因此,我们深入了解了葵花籽通过刺激葡萄糖来增强胰岛素释放的抗糖尿病作用机制。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Insights into the Mechanism of Action of Helianthus annuus (Sunflower) Seed Essential Oil in the Management of Type-2 Diabetes Mellitus Using Network Pharmacology and Molecular Docking Approaches
Type-2 diabetes mellitus (T2D) is one of the leading non-communicable diseases of global concern. Knowing the exact mechanism of action of available antidiabetic agents, particularly natural products, may assist in providing effective therapeutic solutions. The antidiabetic action of Helianthus annuus (sunflower) seed has been established; however, the molecular mechanism of action, especially the essential oil, is lacking. The study explored network pharmacology and molecular docking studies to determine the active phytoconstituents, signaling pathways, and probable therapeutic targets to determine the antidiabetic potential of sunflower seed essential oil. Preliminary analysis established 23 target genes with 15 phytoconstituents involved in T2D which all passed Lipinski’s rule of five with no violation. Three pathways were proposed by KEGG analysis as therapeutic targets for T2D development with PPAR as the major route affecting PPARA, FABP4, PPARD, PPARG, and CPT2 genes. Molecular docking investigation confirmed the effectiveness of active SSEO compounds against the identified genes (targets) and established phylloquinone, linoleic acid, tricosylic acid, and lignoceric acid as the probable drug candidates that could offer laudable therapeutic effects in an effort towards T2D management. Thereby, we present an insight toward understanding the mechanism of the antidiabetic action of sunflower seeds via the stimulation of glucose to enhance insulin release.
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