Mechanism Research of Chonglou as a Pain Killer by Network Pharmacology

Yu‑Tong Liu<sup>ab</sup>; Yong‑Li Situ<sup>ab</sup>; Ting‑Ting Zhao<sup>ab</sup>; Li‑Na Long<sup>ab</sup>; He‑Kun Zeng<sup>ab</sup>; Shang‑Dong Liang<sup>c</sup>; Günther Schmalzing<sup>d</sup>; Hong‑Wei Gao<sup>e</sup>; Jin‑Bin Wei<sup>f</sup>; Chuan‑Hua He<sup>g</sup>; Hong Nie<sup>ab</sup>

Mechanism Research of Chonglou as a Pain Killer by Network Pharmacology

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KeyWord:Chonglou, molecular docking, network pharmacology, pain

Author	Institution
Yu‑Tong Liu^ab	a.Guangdong Province Key Laboratory of Pharmacodynamic Constituents of TCM and New Drugs Research, College of Pharmacy, Jinan University; b.International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Development of Chinese Ministry of Education, College of Pharmacy, Jinan University, Guangzhou, Guangdong
Yong‑Li Situ^ab	a.Guangdong Province Key Laboratory of Pharmacodynamic Constituents of TCM and New Drugs Research, College of Pharmacy, Jinan University; b.International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Development of Chinese Ministry of Education, College of Pharmacy, Jinan University, Guangzhou, Guangdong
Ting‑Ting Zhao^ab	a.Guangdong Province Key Laboratory of Pharmacodynamic Constituents of TCM and New Drugs Research, College of Pharmacy, Jinan University; b.International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Development of Chinese Ministry of Education, College of Pharmacy, Jinan University, Guangzhou, Guangdong
Li‑Na Long^ab	a.Guangdong Province Key Laboratory of Pharmacodynamic Constituents of TCM and New Drugs Research, College of Pharmacy, Jinan University; b.International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Development of Chinese Ministry of Education, College of Pharmacy, Jinan University, Guangzhou, Guangdong
He‑Kun Zeng^ab	a.Guangdong Province Key Laboratory of Pharmacodynamic Constituents of TCM and New Drugs Research, College of Pharmacy, Jinan University; b.International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Development of Chinese Ministry of Education, College of Pharmacy, Jinan University, Guangzhou, Guangdong
Shang‑Dong Liang^c	c.Department of Physiology, Medical College of Nanchang University, Nanchang, Jiangxi, China
Günther Schmalzing^d	d.Deparment of Molecular Pharmacology, RWTH Aachen University, Aachen, Germany
Hong‑Wei Gao^e	e.Department of biological Pharmaceuticals, School of Life Science, Ludong University, Yantai, Shandong,
Jin‑Bin Wei^f	f.Department of Pharmaceutical Experimental Center, College of Pharmacy, Guangxi Medical University, Nanning, Guangxi, China
Chuan‑Hua He^g	g.Department of Medical Science, Brown University, Providence, Rhode Island, USA
Hong Nie^ab	a.Guangdong Province Key Laboratory of Pharmacodynamic Constituents of TCM and New Drugs Research, College of Pharmacy, Jinan University; b.International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Development of Chinese Ministry of Education, College of Pharmacy, Jinan University, Guangzhou, Guangdong

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Abstract:

Objective: The objective of this study is to screen the therapeutic targets of pain of traditional Chinese medicine Chonglou and explore the relevant mechanism by network pharmacology techniques and methods. Materials and Methods: The chemical components of Chonglou were collected according to chemistry database and related literature. SwissADME was used to collect the potential active ingredients from all the chemical components of Chonglou and SwissTarget Prediction was utilized to predict their targets. The genes related to pain were collected from GeneCards and Online Mendelian Inheritance in Man databases. Joint genes were uploaded to the online string database for the analysis and the PPI network was constructed. The “Chonglou-active component-target-pain” network was constructed by Cytoscape 3.7.1 software, Gene Ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed for key target proteins. The top three active components with most targets in the network were docked with the target proteins by the molecular docking technique. Results: A total of nine potential active compounds of Chonglou, 264 potential target genes, 2385 targets of pain disorder, and 128 common targets for drug and disease were screened. One hundred and thirty‑one GO items were identified by the GO enrichment analysis, and 23 related signaling pathways were identified by the KEGG pathway enrichment analysis. Molecular‑docking results show that pennogenin is the optimal butt ligand of PIK3CA, STAT3, mitogen‑activated protein kinase 14, and ADORA1. Conclusion: It is preliminarily revealed that Chonglou might treat pain through multiple targets, multiple biology processes and multiple pain-related signaling pathways, providing reference for the subsequent experimental research.