Speaker
Description
Aim
To unveil the molecular targets of gallbladder cancer and their natural drug candidates
Background
Gallbladder cancer (GBC) is one of the most aggressive malignancies of gastrointestinal tract and its treatment remains a challenge. Because of the side-effects and resistance to existing chemotherapies, exploring the natural alternatives has become crucial. Previous in-vitro studies indicate the pivotal role of phytochemicals in limiting GBC. The present study includes an integrative in-silico approach to explore the potential targets and molecular mechanisms of phytochemicals in limiting GBC.
Methodology
Initially, five flavonoids were selected for the analysis viz. Baicalein, Cirsimaritin, Hispidulin, Kaempferol, and Sinensetin. Parallelly, gene targets of GBC were retrieved from public databases. A set of common genes were obtained using intersection map to use for further analysis. Gene Ontology (GO) and KEGG pathway analyses were performed followed by PPI network construction, gene expression validation, and signaling pathway analysis. Furthermore, molecular docking was performed for the top 5 hub genes, using Gefitinib as a reference drug.
Results
The GO and KEGG pathway analyses revealed role of hub genes in carbon metabolism, foxO pathways, etc. Moreover, the docking results suggest that baicalein, a natural flavonoid efficiently targeted a panel of genes and its binding affinity was found to be at par with Gefitinib.
Conclusion
This study, therefore, presents baicalein as a potential natural therapeutic candidate for treating GBC.
Keywords Gallbladder cancer, flavonoids, network pharmacology, hub genes, molecular docking, bioinformatics