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1-脱氧野尻霉素(1-deoxyrijimycin,DNJ)是一种天然降血糖活性成分,在桑树中的含量最高.采用Discovery Studio2.1软件将DNJ分别与α-葡萄糖苷酶和异麦芽糖酶进行分子对接,从分子结构层面研究其降血糖作用机制.结果表明,DNJ分子能够与α-葡萄糖苷酶分子中的Gln438、Arg437和Phe455结合住点相互作用形成6个氢键,与异麦芽糖酶分子中的Gln279和Va1216结合位点形成4个氢键,显示出抑制α-葡萄糖苷酶和异麦芽糖酶的活性,并且对α-葡萄糖苷酶的抑制作用强于对异麦芽糖酶的抑制作用.研究结果有助于对DNJ衍生物类降血糖药物的设计与研发.“,”1-Deoxynojimycin (DNJ) is a natural hypoglycemic active component,and mulberry has the highest content of DNJ.Its hypoglycemic functioning mechanism was studied by molecular docking between DNJ and α-glucosidase as well as isomaltase using software Discovery Studio 2.1.The results indicated that 6 hydrogen bonds were formed through interaction of DNJ with the binding sites Gin438,Arg437 and Phe455 of α-glucosidase,and 4 hydrogen bonds were formed through interaction of DNJ with the binding sites Gin279 and Val216 of isomaltase It showed that DNJ had the inhibitory activity to α-glucosidase and isomaltase and the inhibitory activity to α-glucosidase was higher than that to isomaItase.The above results are helpful for the design and development of DNJ derivatives with hypoglycemic activity.