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| Material basis and mechanism of Huaiqihuang Granule in intervention of lupus nephritis：network pharmacology and molecular docking technology |
| Hits 334 Download times 408 Received:May 18, 2023 |
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| DOI
10.11656/j.issn.1672-1519.2023.09.18 |
| Key Words
Huaiqihuang Granule;lupus nephritis;network pharmacology;molecular docking;target;signal path way;mechanism |
| Author Name | Affiliation | E-mail | | LIU Yang | Department of Nephrology, First Teaching Hospital of Tianjin University of Traditional Chinese Medicine, Tianjin 300381, China
National Clinical Research Center for Chinese Medicine Acupuncture and Moxibustion, Tianjin 300381, China
Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | GUO Luxuan | Department of Nephrology, First Teaching Hospital of Tianjin University of Traditional Chinese Medicine, Tianjin 300381, China
National Clinical Research Center for Chinese Medicine Acupuncture and Moxibustion, Tianjin 300381, China
Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | HAO Na | Department of Nephrology, First Teaching Hospital of Tianjin University of Traditional Chinese Medicine, Tianjin 300381, China
National Clinical Research Center for Chinese Medicine Acupuncture and Moxibustion, Tianjin 300381, China | Xixilhaona@126.com |
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| Abstract
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| [Objective] Based on network pharmacology and molecular docking technology，we explored the material basis and mechanism of Huaiqihuang Granules’ intervention in lupus nephritis. [Methods] TCMSP，BATMAN-TCM and other databases were used to obtain the main active ingredients and action targets of Huaiqihuang Granules，and then obtained the disease targets of lupus nephritis through GeneCards，OMIM，TTD and other databases. VENNY platform were used to obtain the intersection targets of drugs and diseases，and used the Cytoscape software to build a network diagram of drugs-active ingredients-intersection targets-diseases. Intersection targets into STRING platform and Cytoscape software were inputted to construct drug disease target protein interaction network diagram，and then Metascape platform were used to conduct enrichment analysis of GO and KEGG pathways. Finally，AutoDock Tools and Pymol software were used to perform molecular docking operations and visual analysis of docking results. [Results] A total of 56 active components and 211 target components of Huaiqihuang Granules were obtained，among which quercetin，kaempferol，baicalein，beta-sitosterol，glycitein are representative. The 1 822 disease targets of lupus nephritis were obtained. The 1 822 disease targets of lupus nephritis and 117 intersection targets of drugs and diseases were obtained. Core targets are obtained by constructing protein interaction network diagram，represented by VEGFA，FOS，MMP-9，PTGS2，NFKBIA，etc. A total of 1 926 results were obtained from GO enrichment and 195 results were obtained from KEGG pathway enrichment analysis. The main pathways involved are AGE-RAGE signal pathway，TNF signal pathway，IL-17 signal pathway，Th17 cell differentiation signal pathway，HIF-1 signal pathway，PI3K-Akt signal pathway，etc. The results of molecular docking showed that the binding energy of beta-sitosterol to MMP-9，VEGFA，FOS，quercetin to VEGFA，FOS，glycitein to FOS，kaempferol to MMP-9 after docking was relatively small，suggesting that this may be a key pathway for Huaiqihuang Granules to intervene in lupus nephritis. [Conclusion] This study preliminarily revealed that Huaiqihuang Granules can interfere with the process of lupus nephritis through multiple components，multiple targets and multiple pathways. |
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