Prediction of characteristic chromatogram for Abri Herba based on network pharmacology and molecular docking
10.12206/j.issn.2097-2024.202303048
- VernacularTitle:基于网络药理学与分子对接预测鸡骨草特征图谱研究
- Author:
Chengzhong ZHANG
1
;
Xueyan ZHU
1
;
Qitao BU
1
;
Hongrui WANG
1
;
Baokang HUANG
1
Author Information
1. School of Pharmacy, Naval Medical University, Shanghai 200433 China.
- Publication Type:Originalarticles
- Keywords:
Abri Herba;
network pharmacology;
Q-markers;
characteristic chromatogram
- From:
Journal of Pharmaceutical Practice and Service
2024;42(8):350-358
- CountryChina
- Language:Chinese
-
Abstract:
Objective To predict the potential Q-markers of Abri Herba based on network pharmacology and molecular docking and establish a quality control characteristic. Methods The network relationship of “Abri Herba - component - target - pathway” was constructed by using a variety of databases and the method of network pharmacology. The potential Q-markers of Abri Herba were predicted and then the characteristic Chromatogram of Abri Herba was established by high performance liquid chromatography Results Through the network pharmacological prediction, it was found that the components of abrine hypaphorine, schaftoside in Abri Herba were closely associated with the main targets, such as AKT1, STAT3, HIF1A, GRB2, MMP9, which could act on HIF-1, PI3K-Akt, JAK-STAT and other signaling pathways and have good pharmacological activities to be potential Q-markers of Abri Herba. Then HPLC was used to establish the characteristic according to retention time. Conclusion Through network pharmacology and molecular dock-prediction combined with HPLC detection, the characteristic chromatogram was established with the components of abrine hypaphorine, schaftoside as Q-markers, which could control the quality of Abri Herba by combining the components and pharmacological activities.
