Extrapolations of Periwinkle Secondary Metabolites as Multitarget Inhibitor of Breast Cancer Proteins

Aparna Prasad

doi:10.37591/rrjooh.v11i3.3085

Abstract

Objective: Breast cancer is considered as one of the most common and dangerous forms of cancer. It is a significant public health issue on a global scale. The study estimates that 10.0 million people will die from cancer this year, and 19.3 million people will develop the disease overall (BC). In this computation approach nowadays emphasises for new drug discovery, the target protein EGFR (5UGB), ER (2QGT), and PI3KA (4OYS) were chosen to perform molecular docking against the derivatives of periwinkle Catharanthus phytochemical and FDA approved drugs. Its pharmacological characteristics and its therapeutic analysis were investigated. Methods: The study was based on a computational approach using different phytocompounds for evaluation of their inhibitory potential against the target proteins EGFR, ER, and PI3KA. The protein molecular docking was conducted systematically using IMPAAT, PubChem, PDB, Open Bable, BIOVIA Discovery Studio Visualizer, PDB sum generate, PyRx and ADMETlab 2.0. Result: The docking result revealed that the ligands selected have the best binding affinity with all the three target proteins. Conclusion: The ligands could potentially be used to treat breast cancer in the future approaches for studying the urge ligands in vitro and in vivo analysis in order to create novel breast cancer inhibitors.