基于分子对接技术探讨丹参酮ⅡA治疗糖尿病神经病变的结合作用机制

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Abstract Objective To study the combined action mechanism of tanshinone ⅡA in the treatment of diabetic neuropathy from the molecular level. Methods The structure, target, main biological functions and pathways of tanshinone ⅡA were collected through PubChem database, PharmMapper database and CTD database. Visualized by Pymol software. Results Seventeen target genes of tanshinone ⅡA in the treatment of diabetic neuropathy were obtained, the docking score showed that the compounds and targets were well docked. Gene ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analysis showed that tanshinone ⅡA in the treatment of diabetic neuropathy mainly involved 25 biological functions, including peptide serine phosphorylation, lipopolysaccharide mediated signaling pathway, negative regulation of apoptosis process, and so on. It mainly involved 19 pathways, such as TNF signaling pathway, FoxO signaling pathway, VEGF signaling pathway, PI3K-Akt signaling pathway, and so on. Among them, PI3K-Akt signaling pathway, MAPK signaling pathway, TNF signaling pathway and FoxO signaling pathway were the most enriched targets. Conclusion The reliability of tanshinone ⅡA binding to 17 targets has verified from the perspective of molecular docking. It is revealed that the role of tanshinone ⅡA in the treatment of diabetic neuropathy may be closely related to PI3K-Akt signaling pathway, MAPK signaling pathway, TNF signaling pathway, and FoxO signaling pathway.

Key words： Tanshinone ⅡA Target prediction Pathway Diabetic neuropathy

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	LI Haoyue ZHONG Dayuan DENG Yihui

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LI Haoyue ZHONG Dayuan DENG Yihui. Discussion on combined action mechanism of tanshinone ⅡA in the treatment of diabetic neuropathy based on molecular docking technology[J]. 中国医药导报, 2021, 18(24): 107-110.

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https://www.yiyaodaobao.com.cn/EN/ OR https://www.yiyaodaobao.com.cn/EN/Y2021/V18/I24/107

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