Study on anti-tumor mechanism of Chinese medicine Fuzhengyiliufufang by molecular docking method / 中国临床药理学与治疗学

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-?,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-? and 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.