关键词:

缺铁性贫血, 当归补血汤, 网络药理学, 分子对接

Abstract:

Objective　To explore the mechanism of Danggui Buxue Decoction in the treatment of iron deficiency anemia based on network pharmacology and molecular docking technology. Methods　The active components and targets of Astragalus and Angelica sinensis were screened by the Traditional Chinese Medicine Systems Pharmacology (TCMSP) and reading literature, and the effective targets were screened by the Swiss Target Prediction database. The targets of iron deficiency anemia were obtained from the GeneCards database. Through the intersection of drug targets and disease targets, the key targets were obtained. Gene ontology (GO) functional annotation and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed using the David database. According to the enrichment results of the pathways, the "drug-component-target-pathway" map was drawn, and the key active ingredients and their core targets were obtained. The MOE software was used to verify the molecular docking of the key components and core targets. Results　A total of 30 active ingredients and their corresponding 661 targets and 939 disease targets were included in this study, and 110 key targets were obtained by the intersection of the two. Quercetin, kaempferol, 3, 9-di-o-methylnissolin, and cis-ferulic acid were the key active ingredients of Danggui Buxue Decoction in the treatment of iron deficiency anemia. Fifteen targets, including phosphoinositol 3-kinase regulatory subunit 1 (PIK3R1), RAC-alpha serine/threonine-protein kinase (AKT1), transcription factor p65 (RELA), mitogen-activated protein kinase 1 (MAPK1), MAPK14, etc., were the corresponding core action targets. It might play a role through several signaling pathways, such as the advanced glycation endproducts (AGE)-receptor for advanced glycation endproducts (RAGE) signaling pathway and HIF-1 signaling pathway. The molecular docking showed that the key active ingredients and the corresponding core target had good binding activity. Conclusion　Danggui Buxue Decoction is an effective traditional Chinese medicine for iron-deficiency anemia, and exert its effects through multiple targets and various signaling pathways.

Key words:

Iron deficiency anemia, Danggui Buxue , Decoction, Network pharmacology, Molecular docking