DOI: 10.5061/dryad.18931zcws
title: A network pharmacology approach to predict potential targets and mechanisms of Gui Zhi-Shao Yao herb pair in treating chronic pain with comorbid anxiety and depression

description: Background: Traditional Chinese Medicine (TCM) formulations have
 proven to possess multiple bioactive properties. “Gui Zhi-Shao Yao” herb
 pair is widely used to treat chronic pain (CP), as well as anxiety and
 depression. However, its correlative targets and underlying mechanisms
 have not been completely deciphered. Methods: In this study, the
 network pharmacology method was used to explore the bioactive components
 and targets of “Gui Zhi-Shao Yao” herb pair and further elucidate its
 potential biological mechanisms of action in the treatment of CP with
 comorbid anxiety disorder (AD) and mental depression (MD).
 Results: Followed by a series of analyses, we have identified 15
 active compounds, hit by 130 potential targets. After taking the
 intersection among the targets of this herb pair and CP, AD and MD, and
 sorted by the value of Degree, 9 targets were regarded as the vital ones:
 Akt1, IL6, TNF, PTGS2, JUN, CASP3, MAPK8, PPARγ and NOS3. GO and KEGG
 analysis results demonstrate that 11 pathways primarily participate in the
 pathologic process, such as AGE-RAGE signaling pathway, IL-17 signaling
 pathway, TNF signaling pathway, and the like. Conclusion: This
 study preliminarily predicted and verified the pharmacological and
 molecular mechanism of “Gui Zhi-Shao Yao” herb pair against CP with
 comorbid AD and MD from a holistic perspective. In vivo and in vitro
 experiments will be required to deeply investigate the mechanisms.
description: The chemical compounds of
 each herb in this herb pair were obtained from
 Traditional Chinese Medicine Systems Pharmacology Database and Analysis
 Platform (TCMSP, https://tcmspw.com/tcmsp.php, Version 2.3) and Traditional Chinese Medicines Integrated Database (TCMID, http://www.megabionet.org/tcmid/) through SwissADME (http://www.swissadme.ch/). The targets of chronic pain, anxiety disorder and mental depression were collected from DisGeNET (https://www.disgenet.org/, Version 7.0) and GeneCards (https://www.genecards.org/, Version 5.0). The Metascape<sup> </sup>(https://metascape.org/) was applied to conduct the GO and KEGG enrichment analysis (<i>p</i>-value cutoff: 0.01). Network construction was performed by the network visualization software Cytoscape (Version 3.7.2).
description: All material is free of
 use, but I would appreciate being told, and this dataset and the matching
 paper cited if appropriate. Comments and requests should be addressed to
 Ke Wang: wangke8430@163.com. The data collection was between October, 2020 to December, 2020, in Shanghai, China. <strong>Data and file overview</strong> Targets_of_Chinese_Medicine.xls – the collection of the information of the targets of Chinese Medicine (Gui Zhi and Shao Yao). GO_Cellular_Components.xls – The information of GO Cellular Components of the intersection between the targets of chronic pain and those of “Gui Zhi-Shao Yao” herb pair. GO_Molecular_Functions.csv - The information of GO Molecular Functions of the intersection between the targets of chronic pain and those of “Gui Zhi-Shao Yao” herb pair. GO_Biological_Processes.csv - The information of GO Biological Processes of the intersection between the targets of chronic pain and those of “Gui Zhi-Shao Yao” herb pair. KEGG_Pathway.csv - The information of KEGG Pathway of the intersection between the targets of chronic pain and those of “Gui Zhi-Shao Yao” herb pair. targets_of_CP.xlsx – The information of the targets of chronic pain. GO_Cellular_Components-2.xls - The information of GO Cellular Components of the intersection between the targets of anxiety disorder and those of “Gui Zhi-Shao Yao” herb pair. GO_Molecular_Functions.xls - The information of GO Molecular Functions of the intersection between the targets of anxiety disorder and those of “Gui Zhi-Shao Yao” herb pair. GO_Biological_Processes.xls - The information of GO Biological Processes of the intersection between the targets of anxiety disorder and those of “Gui Zhi-Shao Yao” herb pair. KEGG_Pathway.xls - The information of KEGG Pathway of the intersection between the targets of anxiety disorder and those of “Gui Zhi-Shao Yao” herb pair. targets_of_AD.xlsx - The information of the targets of anxiety disorder. GO_Biological_Processes-2.xls - The information of GO Biological Processes of the intersection between the targets of mental depression and those of “Gui Zhi-Shao Yao” herb pair. GO_Cellular_Components-3.xls - The information of GO Cellular Components of the intersection between the targets of mental depression and those of “Gui Zhi-Shao Yao” herb pair. GO_Molecular_Functions-2.xls - The information of GO Molecular Functions of the intersection between the targets of mental depression and those of “Gui Zhi-Shao Yao” herb pair. KEGG_Pathway-2.xls - The information of KEGG Pathway of the intersection between the targets of mental depression and those of “Gui Zhi-Shao Yao” herb pair. targets_of_MD.xlsx - The information of the targets of mental depression. All the data was collected between October, 2020 to December, 2020.