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采用超滤亲和结合液相色谱-质谱联用(UF-LC-MS)和分子对接技术筛选毛菊苣种子中高亲和α-葡萄糖苷酶抑制剂。以4-硝基苯-α-D-吡喃葡萄糖苷(PNPG)为底物,阿卡波糖为阳性对照,评价毛菊苣种子提取物对α-葡萄糖苷酶的抑制活性,其中阿卡波糖IC_(50)为0.003 mg/m L,毛菊苣种子IC_(50)为0.447 mg/m L。利用UF-LC-MS技术对毛菊苣种子提取物进行筛选鉴定,获得4种化合物;通过Autodock软件筛选出2种与α-葡萄糖苷酶有较高亲和力的化合物,分别是绿原酸和异绿原酸A。结合体外酶活实验,验证了绿原酸、异绿原酸A对α-葡萄糖苷酶的抑制活性。结果表明,各化合物对α-葡萄糖苷酶的抑制活性由大到小依次是:阿卡波糖>异绿原酸A>绿原酸,其中异绿原酸A与阿卡波糖抑制率相近。
UF-LC-MS and molecular docking were used to screen for high-affinity α-glucosidase inhibitors in chicory seeds. Using 4-nitrobenzene-α-D-glucopyranoside (PNPG) as substrate and acarbose as a positive control, the inhibitory activity of the extract of chicory seeds on α-glucosidase was evaluated, The IC 50 of the sugar was 0.003 mg / m L and the IC 50 of the chicory seeds was 0.447 mg / m L. UF-LC-MS technology was used to screen and identify four kinds of compounds. The two compounds with high affinity to α-glucosidase were screened by Autodock software, which were chlorogenic acid and iso-green Acid A. Combined with in vitro enzymatic activity experiments, the inhibitory activity of chlorogenic acid and isooctylgenic acid A on α-glucosidase was verified. The results showed that the inhibitory activity of each compound on α-glucosidase in descending order was: acarbose> iso-chlorogenic acid A> chlorogenic acid, of which iso-chlorogenic acid A and acarbose inhibitory rate was similar .