Publisher(s):China Academic Journals (CD Edition) Electronic Publishing House Co., Ltd.
ISBN:ISBN 978-7-499-00971-4 pdf
First Published: 2020.11.23
Discipline(s): Medicine & Public Health
Price: $119 (for individuals) (中国大陆地区个人用户点此直接购买)
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Stroke, as part of China’s Medicine Progress Series, has 83 excellent research articles on stroke treatment. All the articles included are recommended by the editorial offices of the journals for the first publication. The book contains sections of Theoretical Analysis, Analysis of Effective Components, Mechanism Study, Clinical Study, and Nursing Research. Supported by scientific methodology, it fully demonstrates the advances of TCM treatment in stroke, with objective findings concluded. This book is a compilation of the English version of the articles originally published in Chinese.
LIU Baoyan is currently the lead researcher at China Academy of Chinese Medical Sciences, chief physician, the chairman of the World Federation of Acupuncture–Moxibustion Societies, China Association of Acupuncture–Moxibustion, and the Standardization Wor
Journal of Chinese Medicinal Materials,Part 1: Theoretical Analysis,Vol 39,No. 01
Objective: To study the mechanism of Panax ginseng in treatment of ischemic stroke based on molecular docking technology. Methods: The small molecules of Panax ginseng based on molecular docking technology docked with 20 key targets proteins of cerebral ischemia, and multi-component protein target network was established by Cytoscape 3.1.1 software. At the same time, the two active molecules of the Panax ginseng of Rb 2 and 20(R)-ginsenoside Rg 2 were also analyzed by VEGF and Caspase-3, which were the key proteins in brain ischemia. Results: There were 31 active molecules of Panax ginseng combined strongly with five or more than five protein targets after molecular docking, and only four active molecules of Panax ginseng combined strongly with ten or more than ten protein targets. Rb 2 and 20(R)-ginsenoside Rg 2, the two active molecules of Panax ginseng, had a very strong combination with VEGF and Caspase-3, respectively, and the docking scores were both more than 7.0. Conclusion: It is of practical significance to apply the molecular docking technology to screen the active substances of Panax ginseng for treatment of ischemic stroke, which will lay a foundation for the following study of traditional Chinese medicine formula.
2. The molecular mechanism of stroke treatment by Fufang Longmai Ningfang based on network pharmacology
Acta Pharmaceutica Sinica,Part 1: Theoretical Analysis,Vol 54,No. 02
Stroke is a common disease with complex and diverse clinical manifestations. Fufang Longmai Ningfang has been found to exhibit therapeutic effect on stroke, but its molecular mechanism for treating stroke remains unclear. The aim of this study was to investigate the molecular mechanism of Fufang Longmai Ningfang in the treatment of ischemic stroke by using the method of network pharmacology to define the active components, target and molecular pathway of Fufang Longmai Ningfang. The TCMSP database was used to obtain the potential active components of Fufang Longmai Ningfang in the treatment of stroke. The CNKI database was used to verify the literature. The target was predicted and screened by PharmMapper and UniProt database. The target protein group was collected by TTD database. The Cytoscape software was used to construct a “component–target” network map, “component–target–disease” network map, and “target protein interaction” network map. The EAGLE algorithm was used for cluster analysis, the KEGG database was used for pathway analysis, and the SYBYL software was used for molecular docking for bioactivity verification. We found 39 potential active components and 17 potential effective targets related to stroke. The representative active components were ligustrazine, dioscin, and puerarin, and the related targets were MMP9, NOS3, NOS2, KDR, ALB, IL2, TGFB2, and CPB among others. The study found that carbon metabolism and HIF-1 signaling pathway are the main molecular pathways for treatment of stroke by Fufang Longmai Ningfang. The treatment of ischemic stroke by Fufang Longmai Ningfang may involve reduction of inflammatory response, enhancement of vascular permeability and inhibition of cerebral ischemia–reperfusion injury, providing a theoretical basis for their clinical use.
3. Network pharmacological study of Xiaoshuan Tongluo Formula in anti-stroke based on systematic compound-target interaction prediction model
Acta Pharmaceutica Sinica,Part 1: Theoretical Analysis,Vol 55,No. 03
Xiaoshuan Tongluo Formula is effective for treating mental retardation and barylalia caused by cerebral thrombosis, but its mechanism remains unclear. In this investigation, by collecting the chemical constituents from Xiaoshuan Tongluo Formula and the targets related to stroke, we obtained 1 251 constituents from the formula and 10 drug targets related to stroke. We established 18 prediction models of compound-target interaction for 10 stroke-related targets using molecular docking method and machine learning methods including Naive Bayesian and recursive partitioning based on the molecular fingerprints and molecular descriptors. Based on these models, we predicted the active chemical constituents from Xiaoshuan Tongluo Formula and their drug targets, and 153 potential active constituents were discovered, 22 of which could interact with at least two drug targets related to stroke. On this basis, the chemical constituent-target network was constructed using network construction software, and then the important metabolic pathways of the targets were identified by gene-ontology (GO) enrichment analysis, such as blood coagulation, positive regulation of angiogenesis, and positive regulation of ion transport. On this basis, the target-pathway network was constructed. In conclusion, such technologies as machine learning, molecular docking, virtual screening, data mining and network construction were adopted in this study to explore and partially reveal the active chemical constituents of Xiaoshuan Tongluo Formula against stroke and the action mechanism in the chemical constituent-target-pathway network, which has provided important information for the further study of Xiaoshuan Tongluo Formula.