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NETWORK PHARMACOLOGY ANALYSIS OF YINAOAN CAPSULES HOSPITAL PREPARATION FOR TREATING EPILEPSY BASED ON MULTIPLE PATHWAY INFORMATION

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机构: [1]State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macau, China. [2]Department of Pharmaceutical Sciences, Faculty of Health Sciences, University of Macau, Macau, China. [3]Epilepsy Center, Guangdong Provincial Hospital of Traditional Chinese Medicine, Guangzhou, China.
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关键词: Network pharmacology Molecular docking Drug pathway information Disease pathway information Yinaoan capsules Epilepsy

摘要:
Based on network pharmacology and various route information, investigate prospective substances and mechanisms of hospital preparation of Yinaoan capsule (YNA) in the treatment of epilepsy. The compounds of YNA were collected using the Traditional Chinese Medicine System Pharmacology Database (TCMSP), Traditional Chinese Medicines Integrated Database (TCMID), Encyclopedia of Traditional Chinese Medicine (ETCM), and related literature, and the pkCSM platform was used to predict the pharmacokinetic parameters. The targets of compounds were predicted by SwissTargetPrediction; Collect epilepsy targets and the information of Anti-epileptic drugs from databases such as Genecards and TTD, then obtain intersection targets of YNA compounds and epilepsy. KEGG pathway enrichment analysis was performed through the DAVID database. Gephi was used to construct the network. Finally, the compounds were confirmed by Autodock Vina. 27 key pathways of YNA (Calcium signaling pathway, cAMP signaling pathway, etc.) can be obtained by KEGG pathway analysis. 25 core targets (MAPK3, PRKCA, etc.) and 20 key compounds (GC195, ZNX069, etc.) were obtained by network analysis. The major molecules and the core targets have a strong binding interaction, as demonstrated by molecular docking. By working on MAPK3, PRKCA, and other core targets through important chemicals like GC195 and ZNX069 to activate the Calcium signaling pathway, the cAMP signaling system, and other pathways, YNA may have anti-epileptic effects.This is an open-access article distributed under the terms of the Creative Commons Attribution-Non Commercial-Share Alike 4.0 License, which allows others to remix, tweak, and build upon the work non commercially, as long as the author is credited and the new creations are licensed under the identical terms.

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第一作者机构: [1]State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macau, China. [2]Department of Pharmaceutical Sciences, Faculty of Health Sciences, University of Macau, Macau, China.
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通讯机构: [1]State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macau, China. [2]Department of Pharmaceutical Sciences, Faculty of Health Sciences, University of Macau, Macau, China. [*1]State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Macau, China
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