Based on network pharmacology and molecular docking to explore the mechanism of “Zao Ren Gan Cao Da Mai Decoction” in the treatment of insomnia comorbid with depression. This study employs network pharmacology and molecular docking techniques to uncover the mechanisms by which ZRGCDMD treats depression associated with insomnia. Using network pharmacology, 244 active ingredients were identified from ZRGCDMD, with key components including baicalein, β-carotene, kaempferol, quercetin, naringenin, and diosgenin. Additionally, 88 targets associated with depression comorbid with insomnia were identified. Gene ontology and Kyoto encyclopedia of genes and genomes analyses revealed that ZRGCDMD operates through pathways including neuroactive ligand-receptor interactions, lipid metabolism, and the AGE-RAGE signaling pathway. Using molecular docking technology, the binding energy range between the active ingredient and the primary target was determined to be between −9.2 and −6.1 kcal/mol. Moreover, protein–protein interaction network and molecular docking studies indicate that important targets, such as IL1B, HIF1A, TP53, IL-6, AKT1, and TNF, may be crucial for ZRGCDMD’s effectiveness in treating depression comorbid with insomnia. This study explored the potential active ingredients, potential targets, and signaling pathways of ZRGCDMD in the treatment of depression comorbid with insomnia. This helps to elucidate the therapeutic efficacy and mechanism of action of ZRGCDMD, and provides new insights into its clinical application.
Zhao et al. (Fri,) studied this question.