天然产物研究与开发 ›› 2021, Vol. 33 ›› Issue (12): 2067-2072.doi: 10.16333/j.1001-6880.2021.12.011

• 开发研究 • 上一篇    下一篇

红藤中sargentol对PC12细胞的神经保护作用和分子对接研究

汤建1，孙惠芳2，张腾腾1，安凤霞1，耿春叶1，闻崇炜2*   

  1. 1亳州学院中药学院，亳州 236800；2江苏大学药学院，镇江 212013
  • 出版日期:2021-12-28 发布日期:2021-12-30
  • 基金资助:
    安徽省科技重大专项（18030701163）；安徽省高等学校自然科学研究项目（KJ2019ZD80）；安徽省高校学科（专业）拔尖人才学术资助项目（gxbjZD50）；亳州市重大专项（BKJZD201801）

Neuroprotective effect and molecular docking of sargentol isolated from Sargentodoxa cuneata on PC12 cells

TANG Jian1,SUN Hui-fang2,ZHANG Teng-teng1,AN Feng-xia1,GENG Chun-ye1,WEN Chong-wei2*   

  1. 1School of Chinese Medicine,Bozhou University,Bozhou 236800,China;2School of Pharmacy,Jiangsu University,Zhenjiang 212013,China

  • Online:2021-12-28 Published:2021-12-30

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摘要：

红藤提取物具有抗炎、抗氧化和神经保护活性，从中分离得到苯丙素类化合物sargentol。为研究其神经保护活性和潜在的作用机制，本文中采用过氧化氢（H2O2）、鱼藤酮（rotenone）、叠氮钠（NaN3）致PC12细胞损伤模型评价该化合物对细胞存活率的影响，采用DCFH-DA探针法检测损伤细胞内氧化应激（ROS）水平。进一步采用AutoDock Vina软件与14种蛋白进行分子对接，根据打分值虚拟筛选sargentol可能的结合靶点蛋白和活性机制。发现sargentol（0.1、1、10 μmol/L）对0.5 mmol/L的H2O2致PC12细胞损伤具有良好的保护作用（P< 0.05），且明显抑制PC12细胞内ROS水平；Sargentol对鱼藤酮（10 μmol/L）损伤的PC12细胞有中等强度的保护作用（P> 0.05）；对NaN3致损的PC12细胞仅有微弱保护作用（P> 0.05）。分子对接显示，sargentol与5D3I、2Y37、1E7V、4L7B和3RZF等5种靶点蛋白有良好的结合能力，其中与5D3I（Toll样受体2）和2Y37（诱导性一氧化氮合酶）的结合能最高，均为-7.7 kcal/mol。这意味着sargentol可能通过抗氧化和抗炎机制发挥神经保护作用。

关键词: sargentol, 神经保护, 氧化应激, 炎症, 分子对接

Abstract:

Sargentodoxa cuneata extracts possessed anti-inflammatory,antioxidant,and neuroprotective effects.Herein,a phenylpropanoid sargentol from this plant was studied to evaluate its neuroprotective effect using hydrogen peroxide (H2O2),rotenone,sodium azide (NaN3) induced damage in PC12 cell,and the cell viability was detected by MTT method.DCFH-DA probe was used to test the intracellular reactive oxygen species (ROS) level.AutoDock Vina was used to dock sargentol with 14 selected target proteins,to virtually screen the potential target according to the docking scores.The pretreatment of PC12 cell with sargentol (0.1,1,10 μmol/L) obviously increased cell viability damaged by H2O2 (P< 0.05) and inhibited the ROS level.While sargentol had moderate protective effect against rotenone injured PC12 cell (P> 0.05),only had slight effect on NaN3 injured PC12 cell(P> 0.05).Sargentol had higher binding affinity with proteins 5D3I,2Y37,1E7V,4L7B and 3RZF,and possessed highest affinity of -7.7 kcal/mol with 5D3I (TLR2) and 2Y37 (iNOS).These findings suggested that sargentol might be serving as a novel potential resource for neuroprotection,which could be associated with ROS and inflammation.

Key words: sargentol, neuroprotection, ROS, inflammation, molecular docking

中图分类号:  R93

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