Multitargeted molecular docking study of some N-hydroxycinnamamide compounds on ERα, PR, EGFR, and CK2 receptors

Abstract

Breast cancer chemotherapy is marked by targeting the function of receptors such as ERα (estrogen receptor alpha),
PR (progesterone receptor), EGFR (epidermal growth factor receptor), and CK2 (protein kinase receptor). In this study, the structures of ERα, PR, EGFR and CK2 were obtained from the protein data bank and docked with belinostat analogues using GOLD Suite 5.3 software. Combining both docking score and binding mode analysis criteria, some belinostat analogues exhibited as potential candidates to inhibit the function of breast cancer. The potential compounds are well-bound in their respective binding pose of the hormone receptors. This is mainly based on hydrogen bond interactions between the studied compounds and in-pose amino acids. Three compounds (C3, C5 and C8) gave the best results. Among them, compound C5 stood out as the best candidate for target CK2. This study suggested that N-hydroxycinnamamide can be further investigated and evaluated for breast cancer treatment.