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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结合位点相互作用形成6个氢键,与异麦芽糖酶分子中的Gln279和Val216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-deoxyrijimycin (DNJ) is a natural hypoglycemic active ingredient with the highest content in mulberry. Using Discovery Studio2.1 software, DNJ was respectively linked with α-glucosidase and isomaltase to study its hypoglycemic mechanism from the molecular structure level. The results showed that DNJ could interact with the binding sites of Gln438, Arg437 and Phe455 in the molecule of α-glucosidase to form six hydrogen bonds and form four hydrogen bonds with the Gln279 and Val216 binding sites in the isomaltase molecule, Showed inhibition of the activity of α-glucosidase and isomaltase, and the inhibitory effect on α-glucosidase was stronger than that on isomaltase. The results contribute to the design and development of DNJ derivative hypoglycemic drugs.