Utilizing molecular docking and cell validation to explore the potential mechanisms of lupenone attenuating the inflammatory response via NF-κB pathway
Diabetic nephropathy (DN), a common microvascular complicating disease of diabetes. Lupenone, a pentacyclic triterpenoid, has anti-inflammatory effects and can prevent type 2 diabetes mellitus and treat renal damage, however, the effects and mechanisms of lupenone in DN remain unclear. Thereby,the M...
| Main Authors: | , , , , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2024
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| Online Access: | https://hdl.handle.net/10356/174953 |
| _version_ | 1811690071929126912 |
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| author | Wang, Xiangpei Liu, Mei Li, Xiaofen Zhang, Mei Xu, Feng Liu, Hongyun Wu, Hongmei |
| author2 | School of Physical and Mathematical Sciences |
| author_facet | School of Physical and Mathematical Sciences Wang, Xiangpei Liu, Mei Li, Xiaofen Zhang, Mei Xu, Feng Liu, Hongyun Wu, Hongmei |
| author_sort | Wang, Xiangpei |
| collection | NTU |
| description | Diabetic nephropathy (DN), a common microvascular complicating disease of diabetes. Lupenone, a pentacyclic triterpenoid, has anti-inflammatory effects and can prevent type 2 diabetes mellitus and treat renal damage, however, the effects and mechanisms of lupenone in DN remain unclear. Thereby,the MTT method was used to investigate the antiproliferative effect of lupenoneon the cell line rat glomerular mesangial cells (HBZY-1). Molecular docking was used to investigate the combination of lupenone and MCP-1, IL-1β, TNF-α, IKKβ, IκBα, and NF-κB p65 proteins. The expression of mRNA of the pro-inflammatory cytokines (MCP-1, IL-1β and TNF-α) and the NF-κB signalling pathway in HBZY-1 cells were assessed by RT-PCR. The protein expressions of pro-inflammatory cytokines and NF-κB pathway were got by Western blot. Result showed that lupenone inhibited the proliferative activity of HBZY-1 cells at non-cytotoxic concentrations. Molecular docking results showed that lupenone combined well with the target proteins. Moreover, lupenone could significantly reduced the mRNA and protein expressions for pro-inflammatory cytokines and IKKβ, p-p65 and p-IκBα. Lupenone may play an anti-inflammatory role in DN treatment by inhibiting the NF-κB signalling pathway. These results provided a new understanding of the pharmacological mechanisms of lupenone in treatment of DN. |
| first_indexed | 2024-10-01T05:58:10Z |
| format | Journal Article |
| id | ntu-10356/174953 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T05:58:10Z |
| publishDate | 2024 |
| record_format | dspace |
| spelling | ntu-10356/1749532024-04-22T15:36:48Z Utilizing molecular docking and cell validation to explore the potential mechanisms of lupenone attenuating the inflammatory response via NF-κB pathway Wang, Xiangpei Liu, Mei Li, Xiaofen Zhang, Mei Xu, Feng Liu, Hongyun Wu, Hongmei School of Physical and Mathematical Sciences Medicine, Health and Life Sciences Antiinflammatory agent Cytokine Diabetic nephropathy (DN), a common microvascular complicating disease of diabetes. Lupenone, a pentacyclic triterpenoid, has anti-inflammatory effects and can prevent type 2 diabetes mellitus and treat renal damage, however, the effects and mechanisms of lupenone in DN remain unclear. Thereby,the MTT method was used to investigate the antiproliferative effect of lupenoneon the cell line rat glomerular mesangial cells (HBZY-1). Molecular docking was used to investigate the combination of lupenone and MCP-1, IL-1β, TNF-α, IKKβ, IκBα, and NF-κB p65 proteins. The expression of mRNA of the pro-inflammatory cytokines (MCP-1, IL-1β and TNF-α) and the NF-κB signalling pathway in HBZY-1 cells were assessed by RT-PCR. The protein expressions of pro-inflammatory cytokines and NF-κB pathway were got by Western blot. Result showed that lupenone inhibited the proliferative activity of HBZY-1 cells at non-cytotoxic concentrations. Molecular docking results showed that lupenone combined well with the target proteins. Moreover, lupenone could significantly reduced the mRNA and protein expressions for pro-inflammatory cytokines and IKKβ, p-p65 and p-IκBα. Lupenone may play an anti-inflammatory role in DN treatment by inhibiting the NF-κB signalling pathway. These results provided a new understanding of the pharmacological mechanisms of lupenone in treatment of DN. Published version This work was supported by the National Natural Science Foundation of China (No. 81860737). 2024-04-17T04:25:53Z 2024-04-17T04:25:53Z 2024 Journal Article Wang, X., Liu, M., Li, X., Zhang, M., Xu, F., Liu, H. & Wu, H. (2024). Utilizing molecular docking and cell validation to explore the potential mechanisms of lupenone attenuating the inflammatory response via NF-κB pathway. Scientific Reports, 14(1), 625-. https://dx.doi.org/10.1038/s41598-024-51150-3 2045-2322 https://hdl.handle.net/10356/174953 10.1038/s41598-024-51150-3 38182871 2-s2.0-85181526079 1 14 625 en Scientific Reports © The Author(s) 2024. Open Access. This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/. application/pdf |
| spellingShingle | Medicine, Health and Life Sciences Antiinflammatory agent Cytokine Wang, Xiangpei Liu, Mei Li, Xiaofen Zhang, Mei Xu, Feng Liu, Hongyun Wu, Hongmei Utilizing molecular docking and cell validation to explore the potential mechanisms of lupenone attenuating the inflammatory response via NF-κB pathway |
| title | Utilizing molecular docking and cell validation to explore the potential mechanisms of lupenone attenuating the inflammatory response via NF-κB pathway |
| title_full | Utilizing molecular docking and cell validation to explore the potential mechanisms of lupenone attenuating the inflammatory response via NF-κB pathway |
| title_fullStr | Utilizing molecular docking and cell validation to explore the potential mechanisms of lupenone attenuating the inflammatory response via NF-κB pathway |
| title_full_unstemmed | Utilizing molecular docking and cell validation to explore the potential mechanisms of lupenone attenuating the inflammatory response via NF-κB pathway |
| title_short | Utilizing molecular docking and cell validation to explore the potential mechanisms of lupenone attenuating the inflammatory response via NF-κB pathway |
| title_sort | utilizing molecular docking and cell validation to explore the potential mechanisms of lupenone attenuating the inflammatory response via nf κb pathway |
| topic | Medicine, Health and Life Sciences Antiinflammatory agent Cytokine |
| url | https://hdl.handle.net/10356/174953 |
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