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从……树脂中分离、鉴定新木脂素及其抗炎作用和计算机模拟分析

Isolation, Identification, Anti-Inflammatory, and In Silico Analysis of New Lignans from the Resin of .

作者信息

Wang Junchi, Zheng Qi, Shi Minghui, Wang Huaxiang, Fan Congzhao, Wang Guoping, Zhao Yaqin, Si Jianyong

机构信息

The Key Laboratory of Bioactive Substances and Resources Utilization of Chinese Herbal Medicine, Ministry of Education, Institute of Medicinal Plant Development, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100193, China.

Xinjiang Institute of Chinese Materia Medica and Ethnodrug, Urumqi 830002, China.

出版信息

Pharmaceuticals (Basel). 2023 Sep 25;16(10):1351. doi: 10.3390/ph16101351.

DOI:10.3390/ph16101351
PMID:37895822
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10610263/
Abstract

K. M. Shen (Apiaceae) is distributed in arid desert areas of Xinjiang, and its resin is a traditional Chinese medicine to treat gastrointestinal digestive diseases. To explore bioactive components from , three new lignans and thirteen known components were isolated. The structural elucidation of the components was established utilizing spectroscopic analyses together with ECD calculations. Griess reaction results indicated new compounds and significantly decreased NO production in LPS-stimulated RAW 264.7 macrophages, and ELISA results indicated that they effectively attenuated LPS-induced inflammation by inhibiting TNF-α, IL-1β, and IL-6 expressions. The in silico approach confirmed that compound docked into the receptors with strong binding energies of -5.84~-10.79 kcal/mol. In addition, compound inhibited the proliferation of AGS gastric cancer cells with IC values of 15.2 μM by suppressing the cell migration and invasion. This study disclosed that might be a promising potential resource for bioactive components.

摘要

K. M. Shen（伞形科）分布于新疆干旱沙漠地区，其树脂是治疗胃肠消化系统疾病的传统中药。为了从该植物中探索生物活性成分，分离得到了三种新的木脂素和十三种已知成分。利用光谱分析结合ECD计算对这些成分进行了结构鉴定。格里斯反应结果表明，新化合物和显著降低了LPS刺激的RAW 264.7巨噬细胞中NO的产生，ELISA结果表明它们通过抑制TNF-α、IL-1β和IL-6的表达有效减轻了LPS诱导的炎症。计算机模拟方法证实化合物以-5.84~-10.79 kcal/mol的强结合能与受体对接。此外，化合物通过抑制细胞迁移和侵袭，以15.2 μM的IC值抑制AGS胃癌细胞的增殖。本研究表明，该植物可能是生物活性成分的一个有前途的潜在资源。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/274095521863/pharmaceuticals-16-01351-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/b2e6936789a5/pharmaceuticals-16-01351-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/8141254a5612/pharmaceuticals-16-01351-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/202f274d0fdd/pharmaceuticals-16-01351-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/26bd567cd32c/pharmaceuticals-16-01351-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/42f6816d4ba7/pharmaceuticals-16-01351-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/1b7bdf9a993a/pharmaceuticals-16-01351-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/274095521863/pharmaceuticals-16-01351-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/b2e6936789a5/pharmaceuticals-16-01351-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/8141254a5612/pharmaceuticals-16-01351-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/202f274d0fdd/pharmaceuticals-16-01351-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/26bd567cd32c/pharmaceuticals-16-01351-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/42f6816d4ba7/pharmaceuticals-16-01351-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/1b7bdf9a993a/pharmaceuticals-16-01351-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/aee0/10610263/274095521863/pharmaceuticals-16-01351-g007.jpg

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本文引用的文献

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Phytochemistry. 2023 Oct;214:113824. doi: 10.1016/j.phytochem.2023.113824. Epub 2023 Aug 18.
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Sesquiterpene Coumarin Ethers with Selective Cytotoxic Activities from the Roots of Peşmen (Apiaceae) and Unequivocal Determination of the Absolute Stereochemistry of Samarcandin.来自佩什门（伞形科）根部具有选择性细胞毒活性的倍半萜香豆素醚以及萨马尔坎丁绝对立体化学的明确测定
Pharmaceuticals (Basel). 2023 May 26;16(6):792. doi: 10.3390/ph16060792.
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Undescribed sesquiterpene coumarins from the aerial parts of Ferula sinkiangensis and their anti-inflammatory activities in lipopolysaccharide-stimulated RAW 264.7 macrophages.
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Phytochemistry. 2023 Jun;210:113664. doi: 10.1016/j.phytochem.2023.113664. Epub 2023 Mar 27.
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(Chou-AWei, Chinese ): Traditional Uses, Phytoconstituents, Biosynthesis, and Pharmacological Activities.（周-阿魏，中文）：传统用途、植物成分、生物合成及药理活性。
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