摘要
As a computer-assisted approach, molecular docking has been universally applied in drug research and development and plays an important role in the investigation and evaluation of herbal medicines. Herein, the method was used to estimate the pharmacodynamics of Mai-Luo-Ning injection, a traditional Chinese compound herbal prescription. Through investigating the interactions between several important proteins in cardiovascular system and characteristic components of the formula, its effect on cardiovascular protection was evaluated. Results showed the differences in the interactions between each component and the selected target proteins and revealed the possible mechanisms for synergistic effects of various characteristic components on cardiovascular protection. The study provided scientific evidence supporting the mechanistic study of the interactions among multi-components and targets, offering a general approach to investigating the pharmacodynamics of complicated materials in compound herbal prescriptions.
As a computer-assisted approach, molecular docking has been universally applied in drug research and development and plays an important role in the investigation and evaluation of herbal medicines. Herein, the method was used to estimate the pharmacodynamics of Mai-Luo-Ning injection, a traditional Chinese compound herbal prescription. Through investigating the interactions between several important proteins in cardiovascular system and characteristic components of the formula, its effect on cardiovascular protection was evaluated. Results showed the differences in the interactions between each component and the selected target proteins and revealed the possible mechanisms for synergistic effects of various characteristic components on cardiovascular protection. The study provided scientific evidence supporting the mechanistic study of the interactions among multi-components and targets, offering a general approach to investigating the pharmacodynamics of complicated materials in compound herbal prescriptions.
基金
financially supported by Natural Science Foundation of Jiangsu province(Nos.BK2011065 and BK2012026)
Jiangsu Province Key Lab of Drug Metabolism and Pharmacokinetics(No.BM2012012)
National Basic Research Program of China("973 Program"
No.2011 CB505300-03)
Foundation for the Author of National Excellent Doctoral Dissertation of China(No.200979)
the Program for New Century Excellent Talents in University(No.NCET-09-0770)
关键词
药理学
药物
性质
生化
化学
Molecular docking
Mai-Luo-Ning injection
Multiple-components and targets
Compound herbal prescription
Pharmacodynamics
