Exploring the mechanism of Danggui Buxue decoction against acute renal insufficiency using network pharmacology and molecular docking

  • Xiaoyue Lou College of Pharmacy, Sanquan College of Xinxiang Medical University, Xinxiang 453003, China
  • Yongfeng Ma College of Pharmacy, Sanquan College of Xinxiang Medical University, Xinxiang 453003, China
  • Jiuling Deng Department of Pharmacy, Shanghai Fifth People’s Hospital, Fudan University, Shanghai 200240, China
  • You Lv College of Pharmacy, Sanquan College of Xinxiang Medical University, Xinxiang 453003, China
  • Runhua Li College of Pharmacy, Sanquan College of Xinxiang Medical University, Xinxiang 453003, China
  • Mingli Shang College of Pharmacy, Sanquan College of Xinxiang Medical University, Xinxiang 453003, China
  • Qianwen Zhang College of Pharmacy, Sanquan College of Xinxiang Medical University, Xinxiang 453003, China
  • Xiuling Zhang Department of Pharmacy, Shanghai Fifth People’s Hospital, Fudan University, Shanghai 200240, China
  • Tingting Hou College of Pharmacy, Sanquan College of Xinxiang Medical University, Xinxiang 453003, China
DOI: https://doi.org/10.62617/mcb388
Keywords: Danggui Buxue decoction; acute renal insufficiency; network pharmacology; molecular docking
Article ID: 388

Abstract

The Danggui Buxue decoction (DGBX), consists of Angelica sinensis (Oliv.) Diels, and Astragalus membranaceus (Fisch.) Bunge is known to replenish the blood. However, the mechanisms underlying acute renal injury (ARI) as caused by DGBX are still unclear. Therefore, we aimed to investigate the pharmacological effects of DGBX using a mouse model induced by 1% HgCl2. The key components were selected based on an assessment of gastrointestinal absorption potential and drug-likeness characteristics utilizing the SwissADME tool. The core chemical compositions were screened using Gene Ontology (GO functional analysis and possible signaling pathways were identified through pathway enrichment analysis. After protein-protein interaction (PPI) analysis, a “herb-ingredient-target” network was established via target gene prediction of the DGBX and ARI. Finally, molecular docking was performed to determine the binding affinity between the active ingredients and disease targets. DGBX significantly reduced renal index and serum levels of blood urea nitrogen (BUN), and creatinine (CRE) in mice administered with 1% HgCl2. Network pharmacology analysis identified 3,9-di-O-methylnissolin, (6aR,11aR)-9,10-dimethoxy-6a, 11a-dihydro-6H-benzofurano[3,2-c] chromen-3-ol, (3R)-3-(2-hydroxy-3,4-dimethoxyphen-yl) chroman-7-ol, jaranol, kaempferol, and 7-O-methylisomucronulatol as the six core ingredients of DGBX. Epidermal Growth Factor Receptor (EGFR), RAC-alpha Serine/Threonine-ProteinKinase1(AKT1), Phosphoinositide-3-Kinase Catalytic Subunit Alpha (PIK3CA), Src homology 2 domain-containing tyrosine kinase (SRC), Mitogen-Activated Protein Kinase1(MAPK1), and Estrogen Receptor1(ESR1) were selected as the six effective core targets. Furthermore, molecular docking revealed that the six core ingredients interacted well with six primary targets. The components of DGBX, including A sinensis (Oliv.) Diels and A membranaceus (Fisch.) Bunge may treat ARI by affecting the expression of EGFR, AKT1, PIK3CA, SRC, MAPK1, and ESR1.

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Published
2024-11-25
How to Cite
Lou, X., Ma, Y., Deng, J., Lv, Y., Li, R., Shang, M., Zhang, Q., Zhang, X., & Hou, T. (2024). Exploring the mechanism of Danggui Buxue decoction against acute renal insufficiency using network pharmacology and molecular docking. Molecular & Cellular Biomechanics, 21(3), 388. https://doi.org/10.62617/mcb388
Issue
Vol. 21 No. 3 (2024)
Section
Article

Copyright (c) 2024 Xiaoyue Lou, Yongfeng Ma, Jiuling Deng, You Lv, Runhua Li, Mingli Shang, Qianwen Zhang, Xiuling Zhang, Tingting Hou

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