A comprehensive application: Molecular docking and network pharmacology for the prediction of bioactive constituents and elucidation of mechanisms of action in component-based Chinese medicine |
| |
| Affiliation: | 1. College of Pharmaceutical Engineering of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, 10 Poyang Lake Road, West Zone of Tuanbo New City, Jinghai District, Tianjin, 301617, China;2. Military Medicine Section, Logistics University of People''s Armed Police Force, 1 Huizhihuan Road, Dongli District, Tianjin, 300309, China;3. State Key Laboratory of Component-based Chinese Medicine, Tianjin University of Traditional Chinese Medicine, 10 Poyang Lake Road, West Zone of Tuanbo New City, Jinghai District, Tianjin, 301617, China;1. Department of Minimally Invasive Spinal Surgery, the Affiliated Hospital of Chengde Medical College, Chengde, 067000, China;2. Hebei Key Laboratory of Study and Exploitation of Chinese Medicine, Chengde Medical College, Chengde, 067000, China;1. Wuya College of Innovation, Shenyang Pharmaceutical University, Shenyang, Liaoning, 110016, China;2. Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, Liaoning, 110016, China;3. School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, Liaoning, 110016, China;1. School of Chemistry, Bangor University, Bangor, Gwynedd LL57 2DG, United Kingdom;2. Department of Cellular and Molecular Physiology, Institute of Translational Medicine, University of Liverpool, Liverpool L69 3BX, United Kingdom;3. Department of Pharmaceutical Biology, Johannes Gutenberg University, Mainz, Germany;4. Department of Neuroscience, Biomedical Center, Uppsala University, Uppsala, Sweden and Brain Institute, Federal University of Rio Grande do Norte, UFRN, Natal, Brazil;1. Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China;2. MOE Key Laboratory of Bioinformatics and Bioinformatics Division, TNLIST, Department of Automation, Tsinghua University, Beijing 100084, China;1. School of Pharmacy, Xi''an Jiaotong University, Xi''an, 710061, China;2. Shaanxi Key Laboratory of “Qiyao” Resources and Anti-tumor Acitivities/Shanxi Plant Extract Engineering Technology Research Center, Xi''an, 710061, China;3. Department of Orthopaedics, Second Affiliated Hospital of Xi''an Jiaotong University, Xi''an, 710004, China;4. The Xi''an Children''s Hospital, Xi''an Jiaotong University, Xi''an, 710003, China;5. Department of Respiratory Medicine, Second Affiliated Hospital of Xi''an Jiaotong University, Xi''an, 710004, China |
| |
| Abstract: | Traditional Chinese medicine (TCM) has been used for more than 2000 years in China. TCM has received wide attention recently due to its unique charm. At the same time, its main obstacles have attracted wide attention, including vagueness of drug composition and treatment mechanism. With the development of virtual screening technology, more and more Chinese medicine compounds have been studied to discover the potential active components and mechanisms of action. Molecular docking is a computer technology based on structural design. Network pharmacology establishes powerful and comprehensive databases to understand the relationship between TCM and disease network. In this review, emergent uses and applications of two techniques and further superiorities of the two techniques when embarked to boil down into a tidy system were illustrated. A combination of the two provides a theoretical basis and technical support for the construction of modern TCM based on the compatibility of components and accelerates the realization of two basic elements as well, including the clearness of the pharmacodynamic substances and explanation of the effect of TCM. |
| |
| Keywords: | Molecular docking Network pharmacology Bioactive constituents Mechanisms of action Component-based Chinese medicine |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
