Exploring the therapeutic potential of green tea phytocompounds for pancreatic cancer: An mRNA differential gene expression and pathway analysis study

Abstract

Introduction and Aim: Pancreatic adenocarcinoma, which develops from the exocrine pancreas, is the most prevalent and aggressive type of pancreatic tumour having increased global prevalence, and has more than doubled over the 30 years. The aim of this study is to explore therapeutic potential of Camellia sinensis for pancreatic cancer using mRNA datasets and molecular docking technology. Materials and Methods: The purpose of the current study is to use computational methods to assess the effectiveness of several Camellia sinensis phytochemicals against Pancreatic cancer. The IMMPAT databank is utilized to retrieve the possible ligands. Molecular docking was methodically carried out using the virtual screening tool PyRx and the BIOVIA Discovery Studio Visualizer to forecast the binding affinity among the phytochemicals and the targeted proteins. Using ADMET filters, the ligands' pharmacological assessment was completed. Results: The fifty-two phytochemicals identified from Camellia sinensis were initially screened based on their affinity towards the targeted proteins. The ligand binding affinity score suggested that the phytochemical Vitamin E had the greater affinity towards the two targeted proteins and can be a promising therapeutic potential for the study of pancreatic cancer. Conclusion: The outcomes of this investigation suggested that the phytocompound Vitamin E, upon molecular docking exhibited the highest binding affinity which can be used as a drug candidate for pancreatic cancer.