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Anti-convulsant mechanisms of Bombyx Batryticatus based on molecular docking and network pharmacology |
WANG Qiaoyu1, LIU Ying2, SHEN Jintian1, WANG Kaiyuan1,MEI Rong1, TANG Jian3, ZHANG Linsong2, WEN Chongwei1 |
（1. School of Pharmacy, Jiangsu University, Zhenjiang Jiangsu 212013； 2. Zhenjiang Food and Drug Supervision and Inspection Center, Zhenjiang Jiangsu 212050； 3. School of Chinese Medicine, Bozhou University, Bozhou Anhui 236800, China）
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Abstract Objective: To explore the possible molecular mechanism of the anti-convulsant effect of Bombyx Batryticatus by network pharmacological analysis and molecular docking technology. Methods: Based on literature mining and database search, the chemical components of Bombyx Batryticatus were obtained, Bombyx Batryticatus targets were predicted using the Swiss Target Prediction database. DisGeNET database was used to collect convulsionrelated genes. The relationship network of Drug-Compounds-Target was constructed through Cytoscape software, and used STRING database to construct a protein interaction network. DAVID database was used for GO and KEGG analysis of the targets, and the components and targets were molecularly docked through Auto dock. Results: Through literature mining and database searching, a total of 18 potential active components and 513 effective targets of Bombyx Batryticatus were retrieved, and 22 targets of that intersect with convulsive diseases, these targets played a role in biological processes such as the regulation of cell processes, cell transport activity and receptor activity on the cell membrane, and is mainly involved in neuroactive ligandreceptor interaction, retrograde endocannabinoid signaling, cholinergic synapse and other 9 signal pathways, molecular docking technology verified that the components of Bombyx Batryticatus had good binding activity with potential targets. Conclusion: The “Drug-Active CompoundsTarget” network of Bombyx Batryticatus was constructed and may provide a theoretical reference for the systematic elucidation of the molecular mechanism of Bombyx Batryticatus anticonvulsant effect, as well as new ideas and methods for the development of new drugs.
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Received: 12 April 2021
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