Exploring Molecular Interactions of Britanlin E: Targeting DNA Topoisomerase in Breast Cancer and p53 Binding Protein 1 in Head and Neck Cancer

Abstract

In this study, we employ AutoDock, widely-used molecular docking software, to investigate the molecular interactions of Britanlin E in the context of breast cancer and head and neck cancer. Britanlin E has shown promising anticancer properties, and understanding its binding mechanisms to specific target proteins is crucial for elucidating its therapeutic potential. Our computational approach involves docking simulations of Britanlin E with DNA Topoisomerase, a vital enzyme involved in DNA replication and repair pathways implicated in breast cancer progression, as well as with p53 Binding Protein 1, a critical regulator of cell cycle and apoptosis dysregulated in head and neck cancer. Through AutoDock simulations, we aim to elucidate the binding affinities, binding modes, and key amino acid residues involved in the interactions between Britanlin E and these target proteins. The insights gained from this study will contribute to a deeper understanding of Britanlin E's molecular mechanisms of action, paving the way for the development of novel therapeutic strategies for breast cancer and head and neck cancer.