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中国临床药理学与治疗学 ›› 2007, Vol. 12 ›› Issue (8): 892-895.

• 基础研究 • 上一篇    下一篇

用分子对接法探讨扶正抑瘤复方制剂的抑瘤作用机制

郑春松1,2, 陈立武3, 杜建1,2,3, 叶蕻芝1,2   

  1. 1福建中西医结合研究院, 2福建省高校中西医结合基础重点实验室(福建中医学院), 福州 350108, 福建;
    3福建中医学院附属第二人民医院, 福州 350003, 福建
  • 收稿日期:2007-03-16 修回日期:2007-05-16 出版日期:2007-08-26 发布日期:2020-10-27
  • 通讯作者: 杜建, 男, 主任医师, 教授, 博士生导师, 主要从事中西医结合老年病医学方面研究。Tel:0591-22861157 E-mail:duj@fjtcm.edu.cn
  • 作者简介:郑春松,男,在读硕士,研究实习员,主要从事中药有效成分方面研究。Tel:0591-22861167 E-mail:fu11zhou11@163.com
  • 基金资助:
    福建省科技厅重点项目(2005Y028)

Study on anti-tumor mechanism of Chinese medicine Fuzhengyiliufufang by molecular docking method

ZHENG Chun-song1,2, CHEN Li-wu3, DU Jian1,2,3, YE Hong-zhi1,2   

  1. 1Academy of Integrative Medicine, 2State Key Laboratory of Basics of Integrative Medicine (Fujian College of TCM),Fujian Province University, Fuzhou 350108, Fujian, China;
    3The Second Affiliated Hospital of Fujian University of Traditional Chinese Medicine, Fuzhou 350003, Fujian, China
  • Received:2007-03-16 Revised:2007-05-16 Online:2007-08-26 Published:2020-10-27

摘要: 目的: 探讨中药验方“扶正抑瘤复方制剂” 的抑瘤作用及其作用机制。方法: 采用Accelrys 公司Cerius2 分子模拟软件包(版本4.10), 通过ligandfit模块进行分子对接, 研究扶正抑瘤方成分及可能形成的复合物的三维结构同TNF-α、IL-2 受体的相互作用, 在此基础上探讨扶正抑瘤方的可能抑瘤机制。结果: 以TNF-α、IL-2 为靶点, 以原配体与蛋白各自的DOCKSCORE 值为阈值, 分别筛出与其结合较好的成分为37 个和10 个。结论: “扶正抑瘤复方制剂”是一种非常有前景的治疗肿瘤的复方中药, 其作用机制可能是通过抑制抗炎症细胞因子的同时提高机体免疫功能而间接起到抑瘤作用。

关键词: 中草药, 植物制剂, 分子对接, 白细胞介素-2, 肿瘤坏死因子α, 肿瘤

Abstract: AIM: To investigate the anti-tumor effects of Chinese medicine Fuzhengyiliufufang (FZYLFF) and its mechanism. METHODS: Molecular docking was apllied to simulate the interactions between Chinese medicine small molecules and TNF-α, IL-2 receptors respectively, with the aid of ligand-fit module in the software package Cerius2 4.10 of Accelrys company, to predict the effects of FZYLFF on anti-tumor. RESULTS: According to the dockscore of original ligand and the receptor as threshold value, thirty-seven molecules were predicted to have good interactions with TNF-αand ten molecules with IL-2. CONCLUSION: FZYLFF is a promising Chinese medicine for tumor therapy.Its mechanism is possibly attributed to indirect inhibition by interfering inflammatory cell factors and enhancing immunoregulation.

Key words: Chinese herbal medicine, plant preparations, molecular docking, IL-2, TNF-α, cancer

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