Abstract

Mitotic regulatory proteins such as Aurora A, Aurora B, and BubR1 play critical roles in ensuring accurate chromosome segregation and maintaining genomic stability during cell division. Abnormal expression of these proteins, including the overexpression of Aurora kinases and dysregulation of BubR1, has been associated with tumor development, therapeutic resistance, and unfavorable clinical outcomes in various cancer types. This study aimed to investigate the potential interactions of Resveratrol, a natural polyphenol, with these key mitotic regulators using in silico molecular docking analysis. Additionally, Reversine, a known Aurora B inhibitor, was docked with Aurora B and served as a positive control. Molecular docking analyses were performed with AutoDock Vina, and the resulting interaction patterns were evaluated using Discovery Studio. Resveratrol exhibited favorable binding affinities toward Aurora A, Aurora B, and BubR1, with docking scores of –7.6, –7.3, and –7.1 kcal/mol, respectively. The ligand formed various stabilizing interactions with all target proteins, including hydrophobic contacts, electrostatic forces, and aromatic stacking. These interactions, particularly pi-alkyl and pi-cation bonds, contributed to the stability of the protein-ligand complexes. The Reversine-Aurora B complex demonstrated the strongest binding affinity with a score of –8.6 kcal/mol and was characterized by multiple hydrogen bonds and hydrophobic interactions, supporting its known inhibitory effect. Overall, the results indicate that Resveratrol can form stable and specific interactions with mitotic regulators, suggesting its potential as an antimitotic and anticancer agent. However, as these findings are based solely on in silico analyses using static protein models, further biological validation is required. Future research should focus on cell-based and animal model studies to confirm the functional relevance of these interactions and evaluate the therapeutic potential of Resveratrol in targeting mitotic kinases.

Key words: Resveratrol, molecular docking, aurora kinase, BubR1, antimitotic activity