ACTA NEUROPHARMACOLOGICA ›› 2024, Vol. 14 ›› Issue (3): 17-.DOI: 10.3969/j.issn.2095-1396.2024.03.003

Previous Articles     Next Articles

Exploration of the Effect of Danggui-Shaoyao-Sanon Steroid Hormone Receptor in the Treatment of Diabetic Cognitive Impairment Based on Network Pharmacology and Molecular Docking

LI Tian-tian, FU Xin, YE Jing-ying   

  1. 1. College of Pharmacy, Heilongjiang University of Chinese Medicine, Harbin, 150040, China 

    2. College of Medicine, Lishui University, Zhejiang, Lishui, 323000, China

  • Online:2024-06-26 Published:2024-08-20

Abstract:

Objective: Using network pharmacology and molecular docking technology explores the effect of danggui-shaoyao-san (DSS) on steroid hormone receptors to treat diabetic cognitive impairment. Methods: Angelica sinensis, Paeonia lactiflora Pall, Atractylodes macrocephala, Ligusticum chuanxiong Hort, Poria cocos, and Alisma Plantago-aquatica Linn in DSS were selected as the research objects, and the main chemical components and corresponding targets of six traditional Chinese medicines were screened by TCMSP database. Gene targets related to diabetic cognitive impairment were retrieved from OMIM database and Gene Cards database. Steroid hormone receptors retrieved from the literature and NCBI database and potential targets of DSS in the treatment of diabetic cognitive impairment were input into the STRING platform to obtain the protein network interaction map. The 3D structure of the compound was obtained from the PubChem database, and the 3D structure of the steroid receptor was obtained from the PDB database. The molecular docking software AutoDock4.2.6 was used to obtain the binding energy of the active component of DSS and the steroid hormone receptors. Results: 47 active components and 161 targets of DSS were obtained; 8 018 disease targets of diabetic cognitive impairment; 138 potential targets of DSS in the treatment of diabetic cognitive impairment; 11 steroid hormone receptors. Base on the analysis of protein interaction network, ER α, GR, AR, PR and ER β were a core target. Finally, molecular docking was carried out to screen the results. Conclusion: Based on the research method of network pharmacology and molecular docking, catechin, diosgenin, naringenin, quercetin, taxifolin, kaempferol are mainly found in DSS. These active ingredients act on steroid hormone receptors such as ER α, GR, AR, PR and ER β.

Key words: network pharmacology, molecular docking, steroid hormone receptor, danggui-shaoyao-san, diabetic cognitive impairment

CLC Number: