Correlation study on Tibetan medicine Pterocephalus hookeri of bitter taste receptors based on molecular docking technology.
10.19540/j.cnki.cjcmm.20190628.201
- Author:
Xuan-Hao LI
1
;
Jin-Song SU
1
;
Xiu-Hua LIU
1
;
Wei LONG
2
;
Zhong-Mei ZOU
3
;
Xian-Li MENG
1
;
Yi ZHANG
1
;
Ce TANG
1
Author Information
1. Chengdu University of Traditional Chinese Medicine Chengdu 611137,China.
2. Institute of Radiation Medicine,Chinese Academy of Medical Science and Peking Union Medical College Tianjin 300192,China.
3. Institute of Medicinal Plant Development,Chinese Academy of Medical Sciences and Peking Union Medical College Beijing 100193,China.
- Publication Type:Journal Article
- Keywords:
Pterocephalus hookeri;
Tibetan medicine;
bitter taste receptors;
homology modeling;
molecular docking
- MeSH:
Caprifoliaceae;
chemistry;
Correlation of Data;
Humans;
Medicine, Tibetan Traditional;
Molecular Docking Simulation;
Receptors, G-Protein-Coupled;
metabolism;
Taste
- From:
China Journal of Chinese Materia Medica
2019;44(15):3157-3161
- CountryChina
- Language:Chinese
-
Abstract:
In order to study the interaction between Pterocephalus hookeri and bitter taste receptors,three-dimensional structural models of bitter taste receptors TAS2 R16,TAS2 R14 and TAS2 R13 were established by homology modeling in this paper. Maestro software was used for docking the chemical constituents of P. hookeri with bitter taste receptors. The results showed that 25 chemical components of P. hookeri can regulate three bitter taste receptors. And these components were mainly iridoid glycosides and phenolic acids.This research focused on the comprehensive application of homology modeling and molecular docking technology to explore the interaction between bitter chemical constituents of P. hookeri and bitter taste receptors. This study provided assistance in revealing pharmacodynamic basis of bitter Tibetan medicine at molecular level. It also provided new ideas and methods for the study of Tibetan medicine.
