Wang Yumei, An Jiulong, Yao Shenghong, Zhang Chengfeng, Zhou Yanv, Li Lu, Li He
Key Laboratory of Geriatric Nutrition and Health, Beijing Technology and Business University, Ministry of Education, Beijing 100048, China.
The Product Makers Co., Ltd., Shanghai 200444, China.
Foods. 2025 Jun 21;14(13):2174. doi: 10.3390/foods14132174.
Although α-amylase is crucial for postprandial glucose control, existing inhibitors present various side effects, necessitating the exploration of natural alternatives. The ability of sugarcane polyphenol (SP) to inhibit α-amylase remains unclear. This study assessed the inhibitory activity of SP via in vitro assays, circular dichroism (CD), fluorescence quenching, and stability analysis, while the mechanism of action was elucidated using molecular docking and molecular dynamics (MD). The results showed that the IC of the SP was 0.841 ± 0.029 mg/mL, with proanthocyanidin-B1 (PC-B1) presenting the most potent effect (IC = 0.504 ± 0.019 mg/mL). CD and barycentric mean (BCM) analysis indicated that the complexes might limit substrate binding. The mechanistic assessment showed that the polyphenols bonded to the active enzyme pockets to form stable complexes with reduced key residue fluctuations. In conclusion, SP, especially PC-B1, effectively inhibited α-amylase activity via structural regulation and molecular interactions, providing a theoretical basis for developing natural hypoglycemic agents.
尽管α-淀粉酶对餐后血糖控制至关重要，但现有抑制剂存在各种副作用，因此有必要探索天然替代品。甘蔗多酚（SP）抑制α-淀粉酶的能力尚不清楚。本研究通过体外试验、圆二色性（CD）、荧光猝灭和稳定性分析评估了SP的抑制活性，同时使用分子对接和分子动力学（MD）阐明了其作用机制。结果表明，SP的IC为0.841±0.029mg/mL，原花青素-B1（PC-B1）的效果最为显著（IC=0.504±0.019mg/mL）。CD和重心平均（BCM）分析表明，复合物可能会限制底物结合。机理评估表明，多酚与活性酶口袋结合，形成稳定的复合物，关键残基波动减少。总之，SP，尤其是PC-B1，通过结构调节和分子相互作用有效抑制了α-淀粉酶活性，为开发天然降血糖药物提供了理论依据。
