药学研究2016，Vol.35Issue(9)：511-513,3.DOI:10.13506/j.cnki.jpr.2016.09.004
云南榧树中木脂内酯类化合物Torreyunlignans与PDE9A同源蛋白3JSW的分子对接研究
Study on the molecular docking of PDE9A homologous 3JSW and Torreyunlignans derivatives
摘要
Abstract
Objective To study on the relationships about the Torreyunlignans from Torreya yunnanensis with PDE9A by using the molecular docking technology.Methods SYBYL X1.3 program was used to study the mechanism of interaction between 3JSW and two isomers Torreyunlignans from Torreya yunnanensis.Results The two isomers(compound 1a and 1b) were docked to 3JSW by total scores with 9.45 and 10.24,and the numbers of hydrogen bonds were 0 and 2,respectively. Conclusion The molecular docking results provided the mechanism of the reason why the two isomers with differ inhibit-activities to the target protein PDE9A.关键词
榧树/磷酸二酯酶-9A/木脂内酯类化合物/分子对接Key words
Torreya yunnanensis/PDE9A/Torreyunlignans/Molecular docking分类
医药卫生引用本文复制引用
李洪雷,李飞飞,马少杰..云南榧树中木脂内酯类化合物Torreyunlignans与PDE9A同源蛋白3JSW的分子对接研究[J].药学研究,2016,35(9):511-513,3.基金项目
连云港市2015年市级国家创新型城市建设项目 （）
