Network Pharmacology and <em>In Vitro</em> Cell Experimental Study for Exploring the Therapeutic Potential of Thiazolone Derivatives in Rhabdomyosarcoma

Rhabdomyosarcoma (RD) is a malignant tumor originating from rhabdomyoblasts, which poses a serious threat to the health of children and adolescents. Based on the potential of thiazolone derivatives in a variety of biological activities, this study intends to systematically explore the mechanisms of thiazolone derivatives in the treatment of RD by combining network pharmacology and in vitro cell experiments. Through network pharmacology, high-throughput data were integrated to predict the potential targets of thiazolone. Additionally, AutoDock Vina software was used to calculate the binding energy of the compound and the target protein molecule, revealing its signaling pathway related to RD. Finally, in vitro cell experiments further verified the tumor suppressive effect of the compounds. Network pharmacology was used to analyze the targets of thiazolone derivatives in the treatment of RD, and 172 target genes were finally obtained by combining and deduplicating. Five protein targets with low binding energy were screened by docking between the compound and the target protein molecule, PIK3CD, AKT1, GSK3B, HSP90AB1, and ITGB1. The results of in vitro cell culture experiments showed that a specific thiazolone derivative had a significant inhibitory effect on RD cell lines, providing a scientific basis for the discovery of new targets and effective compounds for the treatment of RD. This study revealed the mechanisms of thiazolone derivatives in the treatment of RD through a combination of network pharmacology and in vitro experiments and provided a new perspective for future drug development and treatment strategies.