Integrating Network Pharmacology, Molecular Docking and Pharmacological Evaluation for Exploring the Polyrhachis vicina Rogers in Ameliorating Depression
Junhui He,1,* Dongbo Han,2,* Chunlian Jia,2,* Jiaxiu Xie,1 Fucui Zhu,2 Jie Wei,1 Dongmei Li,1 Dongmei Wei,1 Yi Li,1 Li Tang,3 Guining Wei,1,4 Jing Yan,4 Yuanming Tong,1 Lifang Yang,4,* Xuecai Tan4,* 1Department of Pharmacology, Key Laboratory of Quality Standa...
| Main Authors: | , , , , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Dove Medical Press
2023-03-01
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| Series: | Drug Design, Development and Therapy |
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| Online Access: | https://www.dovepress.com/integrating-network-pharmacology-molecular-docking-and-pharmacological-peer-reviewed-fulltext-article-DDDT |
| _version_ | 1811157988108402688 |
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| author | He J Han D Jia C Xie J Zhu F Wei J Li D Wei D Li Y Tang L Wei G Yan J Tong Y Yang L Tan X |
| author_facet | He J Han D Jia C Xie J Zhu F Wei J Li D Wei D Li Y Tang L Wei G Yan J Tong Y Yang L Tan X |
| author_sort | He J |
| collection | DOAJ |
| description | Junhui He,1,* Dongbo Han,2,* Chunlian Jia,2,* Jiaxiu Xie,1 Fucui Zhu,2 Jie Wei,1 Dongmei Li,1 Dongmei Wei,1 Yi Li,1 Li Tang,3 Guining Wei,1,4 Jing Yan,4 Yuanming Tong,1 Lifang Yang,4,* Xuecai Tan4,* 1Department of Pharmacology, Key Laboratory of Quality Standards, Guangxi Institute of Chinese Medicine & Pharmaceutical Science, Nanning, 530022, People’s Republic of China; 2Department of Pharmacology, Guangxi Medical University, Nanning, 530021, People’s Republic of China; 3Department of Pharmacy, the First Affiliated Hospital of Guangxi University of Traditional Chinese Medicine, Nanning, 530022, People’s Republic of China; 4Guangxi Key Laboratory of Chemistry and Engineering of Forest Products, School of Chemistry and Chemical Engineering, Guangxi Minzu University, Nanning, 530008, People’s Republic of China*These authors contributed equally to this workCorrespondence: Xuecai Tan; Lifang Yang, Guangxi Key Laboratory of Chemistry and Engineering of Forest Products, School of Chemistry and Chemical Engineering, Guangxi Minzu University, Nanning, 530008, People’s Republic of China, Tel +86 0771-5877473, Email gxunxctan@126.com; yanglf1990@163.comPurpose: To investigate the mechanisms of antidepressant action of active fraction of Polyrhachis vicina Rogers (AFPR) through network pharmacology, molecular docking and experimental validation.Methods: GC-MS was used to predict chemical compounds, corresponding databases were used to predict chemical compound targets and depression targets, Cytoscape software was used to construct and analyze the protein interaction network map, DAVID database was used to analyze gene ontology (GO) and KEGG signaling pathway, and AGFR software was used to perform molecular docking. Subsequently, the underlying action mechanisms of AFPR on depression predicted by network pharmacology analyses were experimentally validated in a CORT-induced depression model in vitro and in vivo.Results: A total of 52 potential targets of AFPR on antidepressant were obtained. GO is mainly related to chemical synaptic transmission, signal transduction and others. KEGG signaling pathways are mainly related to cAMP signaling pathway and C-type lectin receptor signaling pathway. The experiment results showed that AFPR significantly increased the expression of PRKACA, CREB and BDNF in mouse brain tissue and PC12 cells. Furthermore, after interfered of cAMP in PC12 cells, the decreased expression of PRKACA, CREB and BDNF was reversed by AFPR.Conclusion: AFPR may exert antidepressant effects through multiple components, targets and pathways. Furthermore, it could improve neuroplasticity via the cAMP signaling pathway to improve depression-like symptoms.Graphical Abstract: Keywords: PC12 cells, BDNF, corticosterone, CAMP signaling pathway, GC-MS |
| first_indexed | 2024-04-10T05:16:54Z |
| format | Article |
| id | doaj.art-4e691caac7194893a6e3a191556387a4 |
| institution | Directory Open Access Journal |
| issn | 1177-8881 |
| language | English |
| last_indexed | 2024-04-10T05:16:54Z |
| publishDate | 2023-03-01 |
| publisher | Dove Medical Press |
| record_format | Article |
| series | Drug Design, Development and Therapy |
| spelling | doaj.art-4e691caac7194893a6e3a191556387a42023-03-08T18:01:00ZengDove Medical PressDrug Design, Development and Therapy1177-88812023-03-01Volume 1771773582127Integrating Network Pharmacology, Molecular Docking and Pharmacological Evaluation for Exploring the Polyrhachis vicina Rogers in Ameliorating DepressionHe JHan DJia CXie JZhu FWei JLi DWei DLi YTang LWei GYan JTong YYang LTan XJunhui He,1,* Dongbo Han,2,* Chunlian Jia,2,* Jiaxiu Xie,1 Fucui Zhu,2 Jie Wei,1 Dongmei Li,1 Dongmei Wei,1 Yi Li,1 Li Tang,3 Guining Wei,1,4 Jing Yan,4 Yuanming Tong,1 Lifang Yang,4,* Xuecai Tan4,* 1Department of Pharmacology, Key Laboratory of Quality Standards, Guangxi Institute of Chinese Medicine & Pharmaceutical Science, Nanning, 530022, People’s Republic of China; 2Department of Pharmacology, Guangxi Medical University, Nanning, 530021, People’s Republic of China; 3Department of Pharmacy, the First Affiliated Hospital of Guangxi University of Traditional Chinese Medicine, Nanning, 530022, People’s Republic of China; 4Guangxi Key Laboratory of Chemistry and Engineering of Forest Products, School of Chemistry and Chemical Engineering, Guangxi Minzu University, Nanning, 530008, People’s Republic of China*These authors contributed equally to this workCorrespondence: Xuecai Tan; Lifang Yang, Guangxi Key Laboratory of Chemistry and Engineering of Forest Products, School of Chemistry and Chemical Engineering, Guangxi Minzu University, Nanning, 530008, People’s Republic of China, Tel +86 0771-5877473, Email gxunxctan@126.com; yanglf1990@163.comPurpose: To investigate the mechanisms of antidepressant action of active fraction of Polyrhachis vicina Rogers (AFPR) through network pharmacology, molecular docking and experimental validation.Methods: GC-MS was used to predict chemical compounds, corresponding databases were used to predict chemical compound targets and depression targets, Cytoscape software was used to construct and analyze the protein interaction network map, DAVID database was used to analyze gene ontology (GO) and KEGG signaling pathway, and AGFR software was used to perform molecular docking. Subsequently, the underlying action mechanisms of AFPR on depression predicted by network pharmacology analyses were experimentally validated in a CORT-induced depression model in vitro and in vivo.Results: A total of 52 potential targets of AFPR on antidepressant were obtained. GO is mainly related to chemical synaptic transmission, signal transduction and others. KEGG signaling pathways are mainly related to cAMP signaling pathway and C-type lectin receptor signaling pathway. The experiment results showed that AFPR significantly increased the expression of PRKACA, CREB and BDNF in mouse brain tissue and PC12 cells. Furthermore, after interfered of cAMP in PC12 cells, the decreased expression of PRKACA, CREB and BDNF was reversed by AFPR.Conclusion: AFPR may exert antidepressant effects through multiple components, targets and pathways. Furthermore, it could improve neuroplasticity via the cAMP signaling pathway to improve depression-like symptoms.Graphical Abstract: Keywords: PC12 cells, BDNF, corticosterone, CAMP signaling pathway, GC-MShttps://www.dovepress.com/integrating-network-pharmacology-molecular-docking-and-pharmacological-peer-reviewed-fulltext-article-DDDTpc12 cellsbdnfcorticosteronecamp signaling pathwaygc-ms |
| spellingShingle | He J Han D Jia C Xie J Zhu F Wei J Li D Wei D Li Y Tang L Wei G Yan J Tong Y Yang L Tan X Integrating Network Pharmacology, Molecular Docking and Pharmacological Evaluation for Exploring the Polyrhachis vicina Rogers in Ameliorating Depression Drug Design, Development and Therapy pc12 cells bdnf corticosterone camp signaling pathway gc-ms |
| title | Integrating Network Pharmacology, Molecular Docking and Pharmacological Evaluation for Exploring the Polyrhachis vicina Rogers in Ameliorating Depression |
| title_full | Integrating Network Pharmacology, Molecular Docking and Pharmacological Evaluation for Exploring the Polyrhachis vicina Rogers in Ameliorating Depression |
| title_fullStr | Integrating Network Pharmacology, Molecular Docking and Pharmacological Evaluation for Exploring the Polyrhachis vicina Rogers in Ameliorating Depression |
| title_full_unstemmed | Integrating Network Pharmacology, Molecular Docking and Pharmacological Evaluation for Exploring the Polyrhachis vicina Rogers in Ameliorating Depression |
| title_short | Integrating Network Pharmacology, Molecular Docking and Pharmacological Evaluation for Exploring the Polyrhachis vicina Rogers in Ameliorating Depression |
| title_sort | integrating network pharmacology molecular docking and pharmacological evaluation for exploring the polyrhachis vicina rogers in ameliorating depression |
| topic | pc12 cells bdnf corticosterone camp signaling pathway gc-ms |
| url | https://www.dovepress.com/integrating-network-pharmacology-molecular-docking-and-pharmacological-peer-reviewed-fulltext-article-DDDT |
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