To Explore the Mechanism of Shenling Baizhu San in the Treatment of Diarrheal Irritable Bowel Syndrome Based on Network Pharmacology and Molecular Docking Technology

Objectives: To explore the possible mechanism of Shenling Baizhu San (SLBZS) in the treatment of diarrheal irritable bowel syndrome (IBS-D) by network pharmacology and molecular docking technology. Methods: TCMSP and TCMID databases were used to screen the Chinese herbal active ingredients and their corresponding targets, GeneCards and TTD databases were used to screen IBS-D related targets, and the potential targets of Shenling-Atractylodes powder in the treatment of IBS-D were obtained by Venn method intersection, and KEGG pathway analysis was performed. Pymol and Autodock1.5.6 software were used to perform molecular docking experiments for the active ingredients and core targets of SLBZS in the treatment of IBS-D. Results: A total of 215 active ingredients of Shenling-Baizhu powder were obtained, and 198 core targets for IBS-D treatment were identified. Twenty KEGG pathway analysis entries were obtained, mainly involving MAPK signaling pathway, P53 signaling pathway, NF-κB signaling pathway and other pathways. Molecular docking results showed that the active ingredients quercetin and kaferol had good binding with the targets AKT1, TP53 and IL6. Conclusions: SLBZS in the treatment of IBS-D is through 215 active ingredients acting on 198 targets, regulating MAPK signaling pathway, P53 signaling pathway and NF-Kappa B signaling pathway, reducing inflammatory response, reducing oxidative stress, interfering with immunity, regulating apoptosis/anti-apoptosis imbalance and so on.