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网络药理学和实验验证揭示β-榄香烯治疗食管癌的药理机制。

The pharmacological mechanism of β-elemene in the treatment of esophageal cancer revealed by network pharmacology and experimental verification.

机构信息

Department of Digestive Medicine, The General Hospital of Western Theater Command, #270, Tianhui Road, Rongdu Avenue, Chengdu, 610000, Sichuan, China.

Key Laboratory of Molecular Mechanism and Intervention Research for Plateau Diseases of Tibet Autonomous Region, School of Medicine, Xizang Minzu University, Xianyang, 712082, Shaanxi, China.

出版信息

Sci Rep. 2023 Jul 27;13(1):12160. doi: 10.1038/s41598-023-38755-w.

DOI:10.1038/s41598-023-38755-w
PMID:37500660
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10374640/
Abstract

The study aimed to investigate the mechanism of action of β-elemene (ELE) in the treatment of esophageal cancer (EC). In this study, public databases were used to predict related targets in ELE and EC. The network analysis was performed to identify key targets of ELE in EC treatment. Further, bioinformatics and DAVID databases were used for GO and KEGG enrichment analysis, respectively. Ultimately, molecular docking and in vitro cell experiments were conducted to validate the results of network pharmacology enrichment. As a result, 34 candidate targets for ELE in the treatment of EC were obtained, and five key targets (STAT3, EGFR, CTNNB1, BCL2L1 and CASP9) were identified. GO functional annotation yielded 2200 GO entries (p < 0.05). KEGG signaling pathway enrichment analysis screened 100 pathways (p < 0.05). Molecular docking results showed that ELE had similar affinity with five key targets. In vitro experiments showed that the expressions of STAT3, EGFR and BCL2L1 were significantly decreased, and the expression of CASP9 in the ELE intervention group was significantly increased compared with that in the control group. All in all, ELE may play a key role in the treatment of EC by regulating the expression of STAT3, EGFR, BCL2L1 and CASP9.

摘要

本研究旨在探讨β-榄香烯（ELE）治疗食管癌（EC）的作用机制。在这项研究中，使用公共数据库预测 ELE 和 EC 中的相关靶标。通过网络分析鉴定 ELE 治疗 EC 的关键靶标。进一步使用生物信息学和 DAVID 数据库分别进行 GO 和 KEGG 富集分析。最终，通过分子对接和体外细胞实验验证网络药理学富集的结果。结果，获得了 34 个 ELE 治疗 EC 的候选靶标，鉴定出 5 个关键靶标（STAT3、EGFR、CTNNB1、BCL2L1 和 CASP9）。GO 功能注释得到 2200 个 GO 条目（p<0.05）。KEGG 信号通路富集分析筛选出 100 条通路（p<0.05）。分子对接结果表明，ELE 与 5 个关键靶标具有相似的亲和力。体外实验表明，与对照组相比，ELE 干预组的 STAT3、EGFR 和 BCL2L1 表达明显降低，CASP9 表达明显增加。总之，ELE 可能通过调节 STAT3、EGFR、BCL2L1 和 CASP9 的表达，在 EC 的治疗中发挥关键作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/8f1e94f03cf8/41598_2023_38755_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/bc5f911abd39/41598_2023_38755_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/a8a9409bee17/41598_2023_38755_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/3cdc11c69371/41598_2023_38755_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/a6c6c25bd7c9/41598_2023_38755_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/0e58fc54ca1a/41598_2023_38755_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/739e2af7dc35/41598_2023_38755_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/03928f1fe73a/41598_2023_38755_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/8f1e94f03cf8/41598_2023_38755_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/bc5f911abd39/41598_2023_38755_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/a8a9409bee17/41598_2023_38755_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/3cdc11c69371/41598_2023_38755_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/a6c6c25bd7c9/41598_2023_38755_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/0e58fc54ca1a/41598_2023_38755_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/739e2af7dc35/41598_2023_38755_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/03928f1fe73a/41598_2023_38755_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a749/10374640/8f1e94f03cf8/41598_2023_38755_Fig8_HTML.jpg

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