LI Tao, ZHOU Li-mei, CUI Lu, et al. Examples of Active Compounds Screening and Targets Searching in Buzhong Yiqi Tang[J]. Chinese journal of experimental traditional medical formulae, 2016, 22(13): 195-201.
DOI:
LI Tao, ZHOU Li-mei, CUI Lu, et al. Examples of Active Compounds Screening and Targets Searching in Buzhong Yiqi Tang[J]. Chinese journal of experimental traditional medical formulae, 2016, 22(13): 195-201. DOI: 10.13422/j.cnki.syfjx.2016130195.
Examples of Active Compounds Screening and Targets Searching in Buzhong Yiqi Tang
Objective: To find a new method in exploring traditional Chinese medicine (TCM) compounds
with the classical Chinese medicine prescription Buzhong Yiqi Tang (BD) for myasthenia gravis (MG) as the example. Method: In our study
acetylcholinesterase (AChE) was first supposed as the target
and then the TCM prescriptions' chemical component database and acetylcholinesterase inhibitors (AChEi) database were established by data mining method. With the application of Lipinski's five rules
composite technology of molecular two dimensional (2D) similarity and three dimensional similarity (3D)
as well as Glide molecular docking technology
virtual screening of the candidate AChEi from the TCM prescriptions' chemical component database was done and verified by experiment. Result: The mapping relationship between the compounds and targets were established in this study to predict appropriate targets
and thus find the key active compounds and their chemical structures. Furthermore
5 new compounds with new AChEi structures were found in the experiment. Conclusion: This study provides new direction and new method for research on TCM compounds as well as the development and research of targeted drugs
which is important for innovation and modernization of Chinese medicine.
Progress of Anti-osteoporosis Research of Traditional Chinese Medicine Based on Zebrafish Model
Clinical Efficacy of Taohua Tang and Buzhong Yiqi Tang in Treatment of Deficiency Syndrome of Crohn's Disease
Effect of Buzhong Yiqi Tang on Cisplatin Resistance A549/DDP Cells in Nude Mice with Lung Adenocarcinoma
Effect and Mechanism of Modified Buzhong Yiqi Tang and Pursed-lips Breathing on Serum TNF-α, IL-8, IL-6, IL-1β and Cys-C in Patients at Stable Stage of COPD
Evaluation of Effect of Buzhong Yiqi Tang on Rats of Qi-deficiency with Fever by Grey Relational Clustering Method
Related Author
ZHOU Yunfeng
DUAN Peng
LUO Zhilue
GAO Yihan
FAN Xinyu
WANG Henghong
Peng-fei KONG
Xian-peng WEI
Related Institution
Xiangyang No.1 People′s Hospital, Hubei Universi ty of Medicine, Xiangyang
Key Laboratory of Zebrafish Modeling and Drug Screening for Human Diseases of Xiangyang City, Xiangyang No.1 People's Hospital, Hubei University of Medicine, Xiangyang
Affiliated Hospital of North Sichuan Medical College
North Sichuan Medical College
Liaoning University of Traditional Chinese Medicine