Screening of Components with Potential Regulation Effect in Lagotis brevituba Based on Target Cell and Molecular Docking
- VernacularTitle:基于靶细胞捕集与分子对接的藏族药短管兔耳草调控URAT1活性成分筛选
- Author:
Ling-ling REN
1
;
Zhu MAO
1
;
Jin-xiang ZENG
1
;
Chi ZHANG
1
;
Rong-jie HUANG
1
;
Li ZHANG
1
;
Fang-fang ZHOU
1
;
Yu-ye ZHU
1
;
Min LI
1
;
Jian LIANG
1
;
Ji-xiao ZHU
1
;
Guo-yue ZHONG
1
Author Information
- Publication Type:Research Article
- Keywords: Lagotis brevituba; target cell capture; UPLC-Q-TOF-MS; urate anion transporter 1; molecular docking
- From: Chinese Journal of Experimental Traditional Medical Formulae 2020;26(17):119-125
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To study the components with urate anion transporter 1（URAT1） regulation effect and their combination mechanisms of
Lagotis brevituba by integrating techniques of HK-2 cell capture，UPLC-Q-TOF-MS and molecular docking，so as to provide material and theory bases for the development of new hypouricemic medicines based onL. brevituba . Method:The HK-2 cells were applied to capture the components ofL. brevituba . UPLC-Q-TOF-MS was used to identify those components. The molecular docking technique was adopted to study the interaction mechanism between the compounds and URAT1. Result:Eight components were successfully screened and identified as hyperoside，plantamajoside，kaempferol-3-O -glucoside，lugrandoside，nepitrin，isolugrandoside，homoplantaginin，luteolin，respectively. Those components could combine with URAT1 mainly through hydrogen bond，van der Waals force and hydrophobic action，which were closely related to structure and compound types. Furthermore，the LibDock score of phenylethanoids was higher than that of flavonoids. Conclusion:The integration of target cell capture，UPLC-Q-TOF-MS and molecular docking techniques could be successfully used to identify captured compounds ofL. brevituba with URAT1 regulation effects and illustrate their potential combination mechanisms as well as the structure-activity relationships. The findings may provide material and theory bases for the development of new hypouricemic medicines based onL. brevituba .
