Abstract

Yenumala Vamshidhar Reddy74559*, Varikuppala Anand74561 and Thogaru Thanish Varma74562

Bladder cancer is a type of cancer that arises in the bladder’s epithelial lining. It is distinguished by the bladder’s cells growing beyond control. Esculin is a naturally occurring compound found in medicinal plants that has been shown to have therapeutic effects on a number of diseases. Its possible therapeutic effect on bladder cancer is still unidentified although. This study utilizes molecular docking and network pharmacology analysis to examine the potential of esculin for the treatment of bladder cancer. Using the Search Tool for the Retrieval of Interacting Genes (STRING) database, Protein Protein Interaction (PPI) network was created between common targets. After selecting the common hub targets, Kyoto Encyclopedia of Genes and Genomes (KEGG) and Database for Annotation, Visualization, and Integrated Discovery (DAVID) were used to carry out Gene Ontology (GO) enrichment analysis utilizing the Shiny GO databases. Additionally, molecular docking analysis was performed to investigate the interaction between esculin and these potential therapeutic targets. The main hub targets identified through PPI network analysis were Glyceraldehyde-3-Phosphate Dehydrogenase (GAPDH), Tumor Necrosis Factor (TNF), Matrix Metallopeptidase 9 (MMP9) gene, Epidermal Growth Factor Receptor (EGFR), Interleukin (IL)-2, MMP3, MMP1, MMP7, MMP12 and Mitogen-Activated Protein Kinase 1 (MAPK1). KEGG pathways revealed associations with bladder cancer, IL-17 signalling pathway, prostate cancer, melanoma, TNF signalling pathway, estrogen signalling pathway, endocrine resistance, relaxin signalling pathway, central carbon metabolism in cancer, Hypoxia Inducible Factor-1 (HIF- 1) signalling pathway. Esculin’s therapeutic potential has been confirmed by the molecular docking data, which demonstrated high binding affinity between esculin and the top 10 hub targets. The present study offers significant confirmation of the basic molecular mechanism in bladder cancer treatment. According to current study, esulin shows potential as possibilities for developing of novel bladder cancer therapeutics.