应用分子对接技术模拟预测黄芩改善胰岛素抵抗的物质基础

Application of molecular docking technology simulation for prediction of the material basis of Scutellaria baicalensis improving insulin resistance

目的应用分子对接技术模拟预测黄芩改善胰岛素抵抗的活性物质,揭示黄芩改善胰岛素抵抗的物质基础。方法应用分子对接技术对黄芩所含43种化合物与胰岛素抵抗有关的24个靶点进行对接筛选,并采用Cytoscape软件建立多成分-多靶点网络模型。结果黄芩中有14个化合物与12个以上的靶点有较好的结合活性。结论通过分子对接技术模拟筛选出黄芩中改善胰岛素抵抗的活性成分,为中药复方的物质基础研究提供参考。

Objective To predicate the active substances of Scutellaria baicalensis for improvement of insulin resistance by the molecular docking technology. Methods The molecular docking technology was used to analyze the relationship of 43 compounds of Scutellaria baicalensis with 24 targets related with insulin resistance. Meanwhile,multi-component and multi-target network was established by software Cytoscape. Results 14 compounds of Scutellaria baicalensis displayed good binding activities with above 12 targets. Conclusion The molecular docking technology can be used to screen active ingredients of Scutellaria baicalensis for improving insulin resistance,which may provide a reference for study of the material basis of traditional Chinese medicine.