PDF(Pubmed)
Abstract：
Enzymatic fructosylation has emerged as a strategy to enhance the hydrophilicity of polyphenols by introducing sugar moieties, leading to the development of phenolic glycosides, which exhibit improved solubility, stability, and biological activities compared to their non-glycosylated forms. This study provides a detailed analysis of the interactions between five phenolic fructosides (4MFPh, MFF, DFPh, MFPh, and MFPu) and twelve proteins (11β-HS1, CRP, DPPIV, IRS, PPAR-γ, GK, AMPK, IR, GFAT, IL-1ß, IL-6, and TNF-α) associated with the pathogenesis of T2DM. The strongest interactions were observed for phlorizin fructosides (DFPh) with IR (-16.8 kcal/mol) and GFAT (-16.9 kcal/mol). MFPh with 11β-HS1 (-13.99 kcal/mol) and GFAT (-12.55 kcal/mol). 4MFPh with GFAT (-11.79 kcal/mol) and IR (-12.11 kcal/mol). MFF with AMPK (-9.10 kcal/mol) and PPAR- γ (-9.71 kcal/mol), followed by puerarin and ferulic acid monofructosides. The fructoside group showed lower free energy binding values than the controls, metformin and sitagliptin. Hydrogen bonding (HB) was identified as the primary interaction mechanism, with specific polar amino acids such as serin, glutamine, glutamic acid, threonine, aspartic acid, and lysine identified as key contributors. ADMET results indicated favorable absorption and distribution characteristics of the fructosides. These findings provide valuable information for further exploration of phenolic fructosides as potential therapeutic agents for T2DM.
摘要：
酶促果糖糖基化已成为通过引入糖部分来增强多酚亲水性的策略，导致酚类糖苷的发展，表现出改善的溶解度，稳定性,和与其非糖基化形式相比的生物活性。本研究详细分析了五种酚类果糖苷(4MFPh，MFF,DFPh,MFPh,和MFPu）和12种蛋白质（11β-HS1，CRP，DPPIV,国税局,PPAR-γ,GK,AMPK,IR,GFAT,IL-1β,IL-6和TNF-α）与T2DM的发病机制有关。对于根皮苷果糖苷（DFPh）与IR（-16.8kcal/mol）和GFAT（-16.9kcal/mol）的相互作用最强。具有11β-HS1(-13.99kcal/mol)和GFAT(-12.55kcal/mol)的MFPh。具有GFAT(-11.79kcal/mol)和IR(-12.11kcal/mol)的4MFPh。MFF与AMPK（-9.10kcal/mol）和PPAR-γ（-9.71kcal/mol），其次是葛根素和阿魏酸单果糖苷。果糖苷组的自由能结合值比对照组低，二甲双胍和西格列汀。氢键（HB）被确定为主要的相互作用机制，具有特定的极性氨基酸，如血清，谷氨酰胺,谷氨酸，苏氨酸,天冬氨酸,赖氨酸被确定为关键贡献者。ADMET结果表明果糖苷的吸收和分布特征良好。这些发现为进一步探索酚类果糖苷作为T2DM的潜在治疗药物提供了有价值的信息。
