基于分子对接探究紫苏粗提物对代谢综合征相关酶的抑制作用
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余雨婷,女,西安医学院在读本科生。

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陕西省科协提升公共素质项目(编号:2021PSL43);榆林市科技局项目(编号: CXY-2020-092);西安医学院省级大学生创新创业训练项目(编号:S202111840054)


Explore the inhibitory effect of Perilla crude extract on metabolic syndromerelated enzymes based on molecular docking
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    目的:探讨紫苏粗提物对酶的抑制作用,阐明其对代谢综合征的药效物质基础。方法:测定紫苏粗提物中黄酮及酚酸含量;以抑制率为指标,测定紫苏粗提物对不同酶活性的抑制作用;采用分子对接预测紫苏粗提物对胰脂肪酶和淀粉酶抑制作用靶点。结果:紫苏粗提物中黄酮含量为0.309 8 mg/mg,总酚酸含量为58.59 mg/g。紫苏粗提物对α淀粉酶、黄嘌呤氧化酶、胰脂肪酶及乙酰胆碱酯酶的IC50值分别为0.273,0.244,0.347,0.018 mg/mL。芹菜素5-O-β-D葡萄糖苷、木犀草素7二葡萄糖苷酸、芹菜素7葡萄糖苷、山奈酚3-O芸香苷、迷迭香酸、芦丁等为紫苏粗提物的有效活性成分。结论:紫苏粗提物对4种酶都有一定的抑制活性,且呈剂量—效应关系。

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    Objective:The research is to explore the enzyme inhibition of Perilla crude extract, and to preliminarily elucidate the pharmacological substance basis of them on hyperglycemia, hyperuric acid and hyperlipidemia.Methods:The content of flavonoids and phenolic acid in UV extract was determined and showed the active components associated with enzyme inhibition. In vitro experiments, the inhibition of Perilla extracts on different enzyme activity was determined and the inhibitory activity was evaluated by IC50. Molecular docking was used to predict the targets of Perilla crude extract on pancreatic lipase and amylase inhibition.Results:Flavone content in the crude UV extract was 0.309 8 mg/mg, and the total phenolic acid content was 58.59 mg/g. The IC50 values of Perilla crude extractd for α-amylase, xanthine oxidase, pancreatic lipase and acetylcholinesterase were 0.273, 0.244, 0.347 and 0.018 mg/mL, respectively.Apigenin-5-O-β-D-glucosine, xyrhinin-7-diglucosotide, apigenin-7-glucosine, cannol-3-O-ruassin, rosemary acid, rutin and others were the effective active components of perilla crude extracts.Conclusion:The Perilla crude extracts all have certain inhibitory activities on four enzymes, and presents a dose-effect relationship.

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余雨婷,张彦,张迎,等.基于分子对接探究紫苏粗提物对代谢综合征相关酶的抑制作用[J].食品与机械,2022,(4):183-188.
YU Yu-ting, ZHANG Yanl, ZHANG Ying, et al. Explore the inhibitory effect of Perilla crude extract on metabolic syndromerelated enzymes based on molecular docking[J]. Food & Machinery,2022,(4):183-188.

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  • 在线发布日期: 2022-07-20
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