艾叶中法尼基转移酶抑制剂的分子对接研究

单舒 筠*, 王 园园, 石 丽莉
江苏省徐州医药高等职业学校

摘要

本文选择法尼基转移酶（FTase）作为靶标，利用 Autodock 系列软件，将 Artemisian A 和 Artemisian B 两个倍半萜内酯二
聚体与 FTase 蛋白进行了分子对接。结果：Artemisian A 与 Artemisian B 与 FTase 的结合能分别为-9.5 和-9.2 kcal/mol。两个化合
物能够以氢键和疏水作用与两种蛋白相结合。结论：Artemisian A 与 Artemisian B 能够在一定程度上抑制 FTase 的活性，是这个靶
标蛋白的活性抑制剂。

关键词

分子对接；艾叶；法尼基转移酶，香叶基香叶基转移酶

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