Screening of active ingredients in Erzhi pill for osteoporosis based on molecular docking technology and verification
10.16438/j.0513-4870.2020-0027
- VernacularTitle:基于分子对接技术筛选二至丸治疗骨质疏松的活性成分及验证
- Author:
Yuan-yuan ZHAI
1
;
Xin LI
1
;
Meng-ting GAO
1
;
Yi-fei WANG
1
;
Li FENG
1
;
Wei-feng YAO
1
;
Bei-hua BAO
1
;
Yu-dan CAO
1
;
Li ZHANG
1
;
An-wei DING
1
Author Information
1. Jiangsu Key Laboratory for High Technology Research of TCM Formulae and Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China
- Publication Type:Research Article
- Keywords:
Erzhi pill;
anti-osteoporosis;
molecular docking;
active ingredient screening;
cell verification
- From:
Acta Pharmaceutica Sinica
2020;55(6):1222-1228
- CountryChina
- Language:Chinese
-
Abstract:
In this study, we used molecular docking technology and validation experiments in vitro to screen the active ingredients of Erzhi pill for treating osteoporosis. Firstly, the compound in Erzhi pill was docked with ten osteoporosis-related targets by molecular docking technology, and the five active compounds, salidroside, specnuezhenide, tyrosol, quercetin, and wedelolactone, were initially selected. Then, MC3T3-E1 osteoblasts were cultured in α-Mem medium containing different concentrations of compounds, and the cell proliferation rate and mineralized nodules were tested. The verification results showed that the proliferation of MC3T3-E1 cells with salidroside, specnuezhenide and quercetin were more obvious, and salidroside has a better effect on the mineralization of MC3T3-E1 cells than those of specnuezhenide and tyrosol. The molecular docking technology coupled with validation experiment in vitro can be used for the screening of anti-osteoporotic active ingredients of Erzhi pill, and it can also provide a method for the study of effective ingredients of traditional Chinese medicine.
