Potential bioactive compounds and mechanisms of Fibraurea recisa Pierre for the treatment of Alzheimer’s disease analyzed by network pharmacology and molecular docking prediction
IntroductionHeat-clearing and detoxifying Chinese medicines have been documented to have anti-Alzheimer’s disease (AD) activities according to the accumulated clinical experience and pharmacological research results in recent decades. In this study, Fibraurea recisa Pierre (FRP), the classic type of...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2022-12-01
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| Series: | Frontiers in Aging Neuroscience |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fnagi.2022.1052249/full |
| _version_ | 1811185683619905536 |
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| author | Shishuai Wang Shishuai Wang Shishuai Wang Yixuan Ma Yixuan Ma Yixuan Ma Yuping Huang Yuhui Hu Yushan Huang Yi Wu Yi Wu |
| author_facet | Shishuai Wang Shishuai Wang Shishuai Wang Yixuan Ma Yixuan Ma Yixuan Ma Yuping Huang Yuhui Hu Yushan Huang Yi Wu Yi Wu |
| author_sort | Shishuai Wang |
| collection | DOAJ |
| description | IntroductionHeat-clearing and detoxifying Chinese medicines have been documented to have anti-Alzheimer’s disease (AD) activities according to the accumulated clinical experience and pharmacological research results in recent decades. In this study, Fibraurea recisa Pierre (FRP), the classic type of Heat-clearing and detoxifying Chinese medicine, was selected as the object of research.Methods12 components with anti-AD activities were identified in FRP by a variety of methods, including silica gel column chromatography, multiple databases, and literature searches. Then, network pharmacology and molecular docking were adopted to systematically study the potential anti-AD mechanism of these compounds. Consequently, it was found that these 12 compounds could act on 235 anti-AD targets, of which AKT and other targets were the core targets. Meanwhile, among these 235 targets, 71 targets were identified to be significantly correlated with the pathology of amyloid beta (Aβ) and Tau.Results and discussionIn view of the analysis results of the network of active ingredients and targets, it was observed that palmatine, berberine, and other alkaloids in FRP were the key active ingredients for the treatment of AD. Further, Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis revealed that the neuroactive ligand-receptor interaction pathway and PI3K-Akt signaling pathway were the most significant signaling pathways for FRP to play an anti-AD role. Findings in our study suggest that multiple primary active ingredients in FRP can play a multitarget anti-AD effect by regulating key physiological processes such as neurotransmitter transmission and anti-inflammation. Besides, key ingredients such as palmatine and berberine in FRP are expected to be excellent leading compounds of multitarget anti-AD drugs. |
| first_indexed | 2024-04-11T13:34:27Z |
| format | Article |
| id | doaj.art-899d95cd8f3048daaaba90df1226a4e3 |
| institution | Directory Open Access Journal |
| issn | 1663-4365 |
| language | English |
| last_indexed | 2024-04-11T13:34:27Z |
| publishDate | 2022-12-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Aging Neuroscience |
| spelling | doaj.art-899d95cd8f3048daaaba90df1226a4e32022-12-22T04:21:38ZengFrontiers Media S.A.Frontiers in Aging Neuroscience1663-43652022-12-011410.3389/fnagi.2022.10522491052249Potential bioactive compounds and mechanisms of Fibraurea recisa Pierre for the treatment of Alzheimer’s disease analyzed by network pharmacology and molecular docking predictionShishuai Wang0Shishuai Wang1Shishuai Wang2Yixuan Ma3Yixuan Ma4Yixuan Ma5Yuping Huang6Yuhui Hu7Yushan Huang8Yi Wu9Yi Wu10Key Laboratory of Prevention and Treatment of Cardiovascular and Cerebrovascular Diseases, Ministry of Education, Gannan Medical University, Ganzhou, ChinaCenter for Evidence Based Medical and Clinical Research, First Affiliated Hospital of Gannan Medical University, Ganzhou, ChinaCollege of Pharmacy, Gannan Medical University, Ganzhou, ChinaKey Laboratory of Prevention and Treatment of Cardiovascular and Cerebrovascular Diseases, Ministry of Education, Gannan Medical University, Ganzhou, ChinaCenter for Evidence Based Medical and Clinical Research, First Affiliated Hospital of Gannan Medical University, Ganzhou, ChinaCollege of Pharmacy, Gannan Medical University, Ganzhou, ChinaDepartment of Biochemistry and Molecular Biology, Gannan Medical University, Ganzhou, ChinaMedical College, Jinggangshan University, Ji’an, ChinaCenter for Evidence Based Medical and Clinical Research, First Affiliated Hospital of Gannan Medical University, Ganzhou, ChinaKey Laboratory of Prevention and Treatment of Cardiovascular and Cerebrovascular Diseases, Ministry of Education, Gannan Medical University, Ganzhou, ChinaJiangxi Province Key Laboratory of Biomaterials and Biofabrication for Tissue Engineering, Gannan Medical University, Ganzhou, ChinaIntroductionHeat-clearing and detoxifying Chinese medicines have been documented to have anti-Alzheimer’s disease (AD) activities according to the accumulated clinical experience and pharmacological research results in recent decades. In this study, Fibraurea recisa Pierre (FRP), the classic type of Heat-clearing and detoxifying Chinese medicine, was selected as the object of research.Methods12 components with anti-AD activities were identified in FRP by a variety of methods, including silica gel column chromatography, multiple databases, and literature searches. Then, network pharmacology and molecular docking were adopted to systematically study the potential anti-AD mechanism of these compounds. Consequently, it was found that these 12 compounds could act on 235 anti-AD targets, of which AKT and other targets were the core targets. Meanwhile, among these 235 targets, 71 targets were identified to be significantly correlated with the pathology of amyloid beta (Aβ) and Tau.Results and discussionIn view of the analysis results of the network of active ingredients and targets, it was observed that palmatine, berberine, and other alkaloids in FRP were the key active ingredients for the treatment of AD. Further, Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis revealed that the neuroactive ligand-receptor interaction pathway and PI3K-Akt signaling pathway were the most significant signaling pathways for FRP to play an anti-AD role. Findings in our study suggest that multiple primary active ingredients in FRP can play a multitarget anti-AD effect by regulating key physiological processes such as neurotransmitter transmission and anti-inflammation. Besides, key ingredients such as palmatine and berberine in FRP are expected to be excellent leading compounds of multitarget anti-AD drugs.https://www.frontiersin.org/articles/10.3389/fnagi.2022.1052249/fullAlzheimer’s diseaseFibraurea recisa Pierrealkaloidsnetwork pharmacologyAD pathologyheat-clearing and detoxifying traditional Chinese medicine |
| spellingShingle | Shishuai Wang Shishuai Wang Shishuai Wang Yixuan Ma Yixuan Ma Yixuan Ma Yuping Huang Yuhui Hu Yushan Huang Yi Wu Yi Wu Potential bioactive compounds and mechanisms of Fibraurea recisa Pierre for the treatment of Alzheimer’s disease analyzed by network pharmacology and molecular docking prediction Frontiers in Aging Neuroscience Alzheimer’s disease Fibraurea recisa Pierre alkaloids network pharmacology AD pathology heat-clearing and detoxifying traditional Chinese medicine |
| title | Potential bioactive compounds and mechanisms of Fibraurea recisa Pierre for the treatment of Alzheimer’s disease analyzed by network pharmacology and molecular docking prediction |
| title_full | Potential bioactive compounds and mechanisms of Fibraurea recisa Pierre for the treatment of Alzheimer’s disease analyzed by network pharmacology and molecular docking prediction |
| title_fullStr | Potential bioactive compounds and mechanisms of Fibraurea recisa Pierre for the treatment of Alzheimer’s disease analyzed by network pharmacology and molecular docking prediction |
| title_full_unstemmed | Potential bioactive compounds and mechanisms of Fibraurea recisa Pierre for the treatment of Alzheimer’s disease analyzed by network pharmacology and molecular docking prediction |
| title_short | Potential bioactive compounds and mechanisms of Fibraurea recisa Pierre for the treatment of Alzheimer’s disease analyzed by network pharmacology and molecular docking prediction |
| title_sort | potential bioactive compounds and mechanisms of fibraurea recisa pierre for the treatment of alzheimer s disease analyzed by network pharmacology and molecular docking prediction |
| topic | Alzheimer’s disease Fibraurea recisa Pierre alkaloids network pharmacology AD pathology heat-clearing and detoxifying traditional Chinese medicine |
| url | https://www.frontiersin.org/articles/10.3389/fnagi.2022.1052249/full |
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