Network pharmacology to unveil the mechanism of suanzaoren decoction in the treatment of alzheimer’s with diabetes
Abstract Background Suanzaoren Decoction (SZRD), a well-known formula from traditional Chinese medicine, has been shown to have reasonable cognitive effects while relaxing and alleviating insomnia. Several studies have demonstrated significant therapeutic effects of SZRD on diabetes and Alzheimer’s...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
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BMC
2024-01-01
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| Series: | Hereditas |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s41065-023-00301-z |
| _version_ | 1797363270368100352 |
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| author | Tao Chen Yining Lei Manqin Li Xinran Liu Lu Zhang Fei Cai Xiaoming Gong Ruyi Zhang |
| author_facet | Tao Chen Yining Lei Manqin Li Xinran Liu Lu Zhang Fei Cai Xiaoming Gong Ruyi Zhang |
| author_sort | Tao Chen |
| collection | DOAJ |
| description | Abstract Background Suanzaoren Decoction (SZRD), a well-known formula from traditional Chinese medicine, has been shown to have reasonable cognitive effects while relaxing and alleviating insomnia. Several studies have demonstrated significant therapeutic effects of SZRD on diabetes and Alzheimer’s disease (AD). However, the active ingredients and probable processes of SZRD in treating Alzheimer’s with diabetes are unknown. This study aims to preliminarily elucidate the potential mechanisms and potential active ingredients of SZRD in the treatment of Alzheimer’s with diabetes. Methods The main components and corresponding protein targets of SZRD were searched on the TCMSP database. Differential gene expression analysis for diabetes and Alzheimer’s disease was conducted using the Gene Expression Omnibus database, with supplementation from OMIM and genecards databases for differentially expressed genes. The drug-compound-target-disease network was constructed using Cytoscape 3.8.0. Disease and SZRD targets were imported into the STRING database to construct a protein-protein interaction network. Further, Gene Ontology and Kyoto Encyclopedia of Genes and Genomes analyses were performed on the intersection of genes. Molecular docking and molecular dynamics simulations were conducted on the Hub gene and active compounds. Gene Set Enrichment Analysis was performed to further analyze key genes. Results Through the Gene Expression Omnibus database, we obtained 1977 diabetes related genes and 622 AD related genes. Among drugs, diabetes and AD, 97 genes were identified. The drug-compound-target-disease network revealed that quercetin, kaempferol, licochalcone a, isorhamnetin, formononetin, and naringenin may be the core components exerting effects. PPI network analysis identified hub genes such as IL6, TNF, IL1B, CXCL8, IL10, CCL2, ICAM1, STAT3, and IL4. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes analyses showed that SZRD in the treatment of Alzheimer’s with diabetes is mainly involved in biological processes such as response to drug, aging, response to xenobiotic, and enzyme binding; as well as signaling pathways such as Pathways in cancer, Chemical carcinogenesis - receptor activation, and Fluid shear stress and atherosclerosis. Molecular docking results showed that licochalcone a, isorhamnetin, kaempferol, quercetin, and formononetin have high affinity with CXCL8, IL1B, and CCL2. Molecular dynamics simulations also confirmed a strong interaction between CXCL8 and licochalcone a, isorhamnetin, and kaempferol. Gene Set Enrichment Analysis revealed that CXCL8, IL1B, and CCL2 have significant potential in diabetes. Conclusion This study provides, for the first time, insights into the active ingredients and potential molecular mechanisms of SZRD in the treatment of Alzheimer’s with diabetes, laying a theoretical foundation for future basic research. Graphical Abstract |
| first_indexed | 2024-03-08T16:18:56Z |
| format | Article |
| id | doaj.art-f9863aeb2b314461beda31a169a242d2 |
| institution | Directory Open Access Journal |
| issn | 1601-5223 |
| language | English |
| last_indexed | 2024-03-08T16:18:56Z |
| publishDate | 2024-01-01 |
| publisher | BMC |
| record_format | Article |
| series | Hereditas |
| spelling | doaj.art-f9863aeb2b314461beda31a169a242d22024-01-07T12:29:04ZengBMCHereditas1601-52232024-01-01161112210.1186/s41065-023-00301-zNetwork pharmacology to unveil the mechanism of suanzaoren decoction in the treatment of alzheimer’s with diabetesTao Chen0Yining Lei1Manqin Li2Xinran Liu3Lu Zhang4Fei Cai5Xiaoming Gong6Ruyi Zhang7Department of Pharmacy, Xianning Central Hospital, The First Affiliate Hospital of Hubei University of Science and TechnologyHubei Key Laboratory of Diabetes and Angiopathy, Hubei University of Science and TechnologyHubei Key Laboratory of Diabetes and Angiopathy, Hubei University of Science and TechnologyHubei Key Laboratory of Diabetes and Angiopathy, Hubei University of Science and TechnologyHubei Key Laboratory of Diabetes and Angiopathy, Hubei University of Science and TechnologyHubei Key Laboratory of Diabetes and Angiopathy, Hubei University of Science and TechnologyDepartment of Pharmacy, Xianning Central Hospital, The First Affiliate Hospital of Hubei University of Science and TechnologyHubei Key Laboratory of Diabetes and Angiopathy, Hubei University of Science and TechnologyAbstract Background Suanzaoren Decoction (SZRD), a well-known formula from traditional Chinese medicine, has been shown to have reasonable cognitive effects while relaxing and alleviating insomnia. Several studies have demonstrated significant therapeutic effects of SZRD on diabetes and Alzheimer’s disease (AD). However, the active ingredients and probable processes of SZRD in treating Alzheimer’s with diabetes are unknown. This study aims to preliminarily elucidate the potential mechanisms and potential active ingredients of SZRD in the treatment of Alzheimer’s with diabetes. Methods The main components and corresponding protein targets of SZRD were searched on the TCMSP database. Differential gene expression analysis for diabetes and Alzheimer’s disease was conducted using the Gene Expression Omnibus database, with supplementation from OMIM and genecards databases for differentially expressed genes. The drug-compound-target-disease network was constructed using Cytoscape 3.8.0. Disease and SZRD targets were imported into the STRING database to construct a protein-protein interaction network. Further, Gene Ontology and Kyoto Encyclopedia of Genes and Genomes analyses were performed on the intersection of genes. Molecular docking and molecular dynamics simulations were conducted on the Hub gene and active compounds. Gene Set Enrichment Analysis was performed to further analyze key genes. Results Through the Gene Expression Omnibus database, we obtained 1977 diabetes related genes and 622 AD related genes. Among drugs, diabetes and AD, 97 genes were identified. The drug-compound-target-disease network revealed that quercetin, kaempferol, licochalcone a, isorhamnetin, formononetin, and naringenin may be the core components exerting effects. PPI network analysis identified hub genes such as IL6, TNF, IL1B, CXCL8, IL10, CCL2, ICAM1, STAT3, and IL4. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes analyses showed that SZRD in the treatment of Alzheimer’s with diabetes is mainly involved in biological processes such as response to drug, aging, response to xenobiotic, and enzyme binding; as well as signaling pathways such as Pathways in cancer, Chemical carcinogenesis - receptor activation, and Fluid shear stress and atherosclerosis. Molecular docking results showed that licochalcone a, isorhamnetin, kaempferol, quercetin, and formononetin have high affinity with CXCL8, IL1B, and CCL2. Molecular dynamics simulations also confirmed a strong interaction between CXCL8 and licochalcone a, isorhamnetin, and kaempferol. Gene Set Enrichment Analysis revealed that CXCL8, IL1B, and CCL2 have significant potential in diabetes. Conclusion This study provides, for the first time, insights into the active ingredients and potential molecular mechanisms of SZRD in the treatment of Alzheimer’s with diabetes, laying a theoretical foundation for future basic research. Graphical Abstracthttps://doi.org/10.1186/s41065-023-00301-zNetwork pharmacologyMolecular dynamics simulationAlzheimer’s with diabetesLicochalcone AIsorhamnetinKaempferol |
| spellingShingle | Tao Chen Yining Lei Manqin Li Xinran Liu Lu Zhang Fei Cai Xiaoming Gong Ruyi Zhang Network pharmacology to unveil the mechanism of suanzaoren decoction in the treatment of alzheimer’s with diabetes Hereditas Network pharmacology Molecular dynamics simulation Alzheimer’s with diabetes Licochalcone A Isorhamnetin Kaempferol |
| title | Network pharmacology to unveil the mechanism of suanzaoren decoction in the treatment of alzheimer’s with diabetes |
| title_full | Network pharmacology to unveil the mechanism of suanzaoren decoction in the treatment of alzheimer’s with diabetes |
| title_fullStr | Network pharmacology to unveil the mechanism of suanzaoren decoction in the treatment of alzheimer’s with diabetes |
| title_full_unstemmed | Network pharmacology to unveil the mechanism of suanzaoren decoction in the treatment of alzheimer’s with diabetes |
| title_short | Network pharmacology to unveil the mechanism of suanzaoren decoction in the treatment of alzheimer’s with diabetes |
| title_sort | network pharmacology to unveil the mechanism of suanzaoren decoction in the treatment of alzheimer s with diabetes |
| topic | Network pharmacology Molecular dynamics simulation Alzheimer’s with diabetes Licochalcone A Isorhamnetin Kaempferol |
| url | https://doi.org/10.1186/s41065-023-00301-z |
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