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基于分子对接探究三七皂苷对α-淀粉酶活性的抑制作用

汤莹莹 潘江凌 潘劲松 张恒华

中国食品添加剂2025,Vol.36Issue(8):24-30,7.
中国食品添加剂2025,Vol.36Issue(8):24-30,7.DOI:10.19804/j.issn1006-2513.2025.8.004

基于分子对接探究三七皂苷对α-淀粉酶活性的抑制作用

Investigation of the inhibitory effect of Panax notoginseng saponins on activity of α-amylase based on molecular docking

汤莹莹 1潘江凌 1潘劲松 1张恒华1

作者信息

  • 1. 安徽中科医疗器械有限公司,合肥 230061
  • 折叠

摘要

Abstract

The inhibitory effect of Panax notoginseng saponins on activity of α-amylase was investigated by examining its inhibition rate,inhibition type,inhibition kinetic parameters,and molecular docking characteristics.Additionally,the effects of pH and temperature on the inhibition stability of ginsenosides was explored.The results showed that:Ginsenosides could reduce the activity of α-amylase,with the inhibitory effect increasing as the concentration of Panax notoginseng saponins increased.Panax notoginseng saponins inhibited the activity of α-amylase in a mixed competitive manner.Ginsenosides interacted with α-amylase through hydrogen bonds,hydrophobic interactions,and salt bridges,with a binding energy of-7.76 kcal/mol,demonstrating a strong binding affinity.The inhibitory capacity of ginsenosides on α-amylase activity decreased when the pH was below 5 or above 9.Treatment at temperatures exceeding 55℃negatively affected the inhibition efficiency.The above results showed that Panax notoginseng saponins could both bind to the substrate and interfere with the active site of enzyme,thereby reducing its catalytic efficiency.Furthermore,Panax notoginseng saponins exhibited better stability and significant inhibitory activity against α-amylase under neutral environments(pH 5~7)and at low temperatures(below 35℃).

关键词

三七皂苷/α-淀粉酶/酶抑制作用/抑制动力学/分子对接

Key words

Panax notoginseng saponins/α-amylase/enzyme inhibition/inhibition kinetics/molecular docking

分类

轻工纺织

引用本文复制引用

汤莹莹,潘江凌,潘劲松,张恒华..基于分子对接探究三七皂苷对α-淀粉酶活性的抑制作用[J].中国食品添加剂,2025,36(8):24-30,7.

中国食品添加剂

1006-2513

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