Revealing the potential therapeutic mechanism of Lonicerae Japonicae Flos in Alzheimer’s disease: a computational biology approach
BackgroundAlzheimer’s disease (AD) is a degenerative brain disease without a cure. Lonicerae Japonicae Flos (LJF), a traditional Chinese herbal medicine, possesses a neuroprotective effect, but its mechanisms for AD are not well understood. This study aimed to investigate potential targets and const...
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Frontiers Media S.A.
2024-11-01
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| author | Qin Xiang Qin Xiang Qin Xiang Qin Xiang Yu Xiang Yao Liu Yongjun Chen Qi He Taolin Chen Liang Tang Liang Tang Binsheng He Jianming Li |
| author_facet | Qin Xiang Qin Xiang Qin Xiang Qin Xiang Yu Xiang Yao Liu Yongjun Chen Qi He Taolin Chen Liang Tang Liang Tang Binsheng He Jianming Li |
| author_sort | Qin Xiang |
| collection | DOAJ |
| description | BackgroundAlzheimer’s disease (AD) is a degenerative brain disease without a cure. Lonicerae Japonicae Flos (LJF), a traditional Chinese herbal medicine, possesses a neuroprotective effect, but its mechanisms for AD are not well understood. This study aimed to investigate potential targets and constituents of LJF against AD.MethodsNetwork pharmacology and bioinformatics analyses were performed to screen potential compounds and targets. Gene Expression Omnibus (GEO) datasets related to AD patients were used to screen core targets of differential expression. Gene expression profiling interactive analysis (GEPIA) was used to validate the correlation between core target genes and major causative genes of AD. The receiver operating characteristic (ROC) analysis was used to evaluate the predictive efficacy of core targets based on GEO datasets. Molecular docking and dynamics simulation were conducted to analyze the binding affinities of effective compounds with core targets.ResultsNetwork pharmacology analysis showed that 112 intersection targets were identified. Bioinformatics analysis displayed that 32 putative core targets were identified from 112 intersection targets. Only eight core targets were differentially expressed based on GEO datasets. Finally, six core targets of MAPK8, CTNNB1, NFKB1, EGFR, BCL2, and NFE2L2 were related to AD progression and had good predictive ability based on correlation and ROC analyses. Molecular docking and dynamics simulation analyses elucidated that the component of lignan interacted with EGFR, the component of β-carotene interacted with CTNNB1 and BCL2, the component of β-sitosterol interacted with BCL2, the component of hederagenin interacted with NFKB1, the component of berberine interacted with EGFR and BCL2, and the component of baicalein interacted with NFKB1, EGFR and BCL2.ConclusionThrough a comprehensive analysis, this study revealed that six core targets (MAPK8, CTNNB1, NFKB1, EGFR, BCL2, and NFE2L2) and six practical components (lignan, β-carotene, β-sitosterol, hederagenin, berberine, and baicalein) were involved in the mechanism of action of LJF against AD. Our work demonstrated that LJF effectively treats AD through its multi-component and multi-target properties. The findings of this study will establish a theoretical basis for the expanded application of LJF in AD treatment and, hopefully, can guide more advanced experimental research in the future. |
| format | Article |
| id | doaj-art-61df4b4305e4477d80b6ded1faf792c9 |
| institution | OA Journals |
| issn | 2296-858X |
| language | English |
| publishDate | 2024-11-01 |
| publisher | Frontiers Media S.A. |
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| spelling | doaj-art-61df4b4305e4477d80b6ded1faf792c92025-08-20T02:14:57ZengFrontiers Media S.A.Frontiers in Medicine2296-858X2024-11-011110.3389/fmed.2024.14685611468561Revealing the potential therapeutic mechanism of Lonicerae Japonicae Flos in Alzheimer’s disease: a computational biology approachQin Xiang0Qin Xiang1Qin Xiang2Qin Xiang3Yu Xiang4Yao Liu5Yongjun Chen6Qi He7Taolin Chen8Liang Tang9Liang Tang10Binsheng He11Jianming Li12Hunan Provincial University Key Laboratory of the Fundamental and Clinical Research on Neurodegenerative Diseases, Changsha Medical University, Changsha, ChinaHunan Provincial University Key Laboratory of the Fundamental and Clinical Research on Functional Nucleic Acid, Changsha Medical University, Changsha, ChinaHunan Provincial Key Laboratory of the Traditional Chinese Medicine Agricultural Biogenomics, Changsha Medical University, Changsha, ChinaCollege of Basic Medicine, Changsha Medical University, Changsha, ChinaCollege of Basic Medicine, Changsha Medical University, Changsha, ChinaCollege of Basic Medicine, Changsha Medical University, Changsha, ChinaDepartment of Neurology, Nanhua Affiliated Hospital, Hengyang Medical College, University of South China, Hengyang, ChinaZiyang District Brain Hospital, Yiyang, ChinaCollege of Basic Medicine, Changsha Medical University, Changsha, ChinaHunan Provincial University Key Laboratory of the Fundamental and Clinical Research on Neurodegenerative Diseases, Changsha Medical University, Changsha, ChinaCollege of Basic Medicine, Changsha Medical University, Changsha, ChinaHunan Provincial Key Laboratory of the Traditional Chinese Medicine Agricultural Biogenomics, Changsha Medical University, Changsha, ChinaHunan Provincial University Key Laboratory of the Fundamental and Clinical Research on Neurodegenerative Diseases, Changsha Medical University, Changsha, ChinaBackgroundAlzheimer’s disease (AD) is a degenerative brain disease without a cure. Lonicerae Japonicae Flos (LJF), a traditional Chinese herbal medicine, possesses a neuroprotective effect, but its mechanisms for AD are not well understood. This study aimed to investigate potential targets and constituents of LJF against AD.MethodsNetwork pharmacology and bioinformatics analyses were performed to screen potential compounds and targets. Gene Expression Omnibus (GEO) datasets related to AD patients were used to screen core targets of differential expression. Gene expression profiling interactive analysis (GEPIA) was used to validate the correlation between core target genes and major causative genes of AD. The receiver operating characteristic (ROC) analysis was used to evaluate the predictive efficacy of core targets based on GEO datasets. Molecular docking and dynamics simulation were conducted to analyze the binding affinities of effective compounds with core targets.ResultsNetwork pharmacology analysis showed that 112 intersection targets were identified. Bioinformatics analysis displayed that 32 putative core targets were identified from 112 intersection targets. Only eight core targets were differentially expressed based on GEO datasets. Finally, six core targets of MAPK8, CTNNB1, NFKB1, EGFR, BCL2, and NFE2L2 were related to AD progression and had good predictive ability based on correlation and ROC analyses. Molecular docking and dynamics simulation analyses elucidated that the component of lignan interacted with EGFR, the component of β-carotene interacted with CTNNB1 and BCL2, the component of β-sitosterol interacted with BCL2, the component of hederagenin interacted with NFKB1, the component of berberine interacted with EGFR and BCL2, and the component of baicalein interacted with NFKB1, EGFR and BCL2.ConclusionThrough a comprehensive analysis, this study revealed that six core targets (MAPK8, CTNNB1, NFKB1, EGFR, BCL2, and NFE2L2) and six practical components (lignan, β-carotene, β-sitosterol, hederagenin, berberine, and baicalein) were involved in the mechanism of action of LJF against AD. Our work demonstrated that LJF effectively treats AD through its multi-component and multi-target properties. The findings of this study will establish a theoretical basis for the expanded application of LJF in AD treatment and, hopefully, can guide more advanced experimental research in the future.https://www.frontiersin.org/articles/10.3389/fmed.2024.1468561/fullAlzheimer’s diseasecomputational biologyLonicerae Japonicae Flosmechanismstraditional Chinese medicine |
| spellingShingle | Qin Xiang Qin Xiang Qin Xiang Qin Xiang Yu Xiang Yao Liu Yongjun Chen Qi He Taolin Chen Liang Tang Liang Tang Binsheng He Jianming Li Revealing the potential therapeutic mechanism of Lonicerae Japonicae Flos in Alzheimer’s disease: a computational biology approach Frontiers in Medicine Alzheimer’s disease computational biology Lonicerae Japonicae Flos mechanisms traditional Chinese medicine |
| title | Revealing the potential therapeutic mechanism of Lonicerae Japonicae Flos in Alzheimer’s disease: a computational biology approach |
| title_full | Revealing the potential therapeutic mechanism of Lonicerae Japonicae Flos in Alzheimer’s disease: a computational biology approach |
| title_fullStr | Revealing the potential therapeutic mechanism of Lonicerae Japonicae Flos in Alzheimer’s disease: a computational biology approach |
| title_full_unstemmed | Revealing the potential therapeutic mechanism of Lonicerae Japonicae Flos in Alzheimer’s disease: a computational biology approach |
| title_short | Revealing the potential therapeutic mechanism of Lonicerae Japonicae Flos in Alzheimer’s disease: a computational biology approach |
| title_sort | revealing the potential therapeutic mechanism of lonicerae japonicae flos in alzheimer s disease a computational biology approach |
| topic | Alzheimer’s disease computational biology Lonicerae Japonicae Flos mechanisms traditional Chinese medicine |
| url | https://www.frontiersin.org/articles/10.3389/fmed.2024.1468561/full |
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