Molecular Docking Studies on Methanolic Propolis Extracts Collected from Different Regions in Saudi Arabia as a Potential Inhibitor of Topoisomerase IIβ

Abstract

Propolis is a sticky substance made by honeybees from various plant parts that is rich in biologically active substances such as flavonoids, phenolic acids, and phenolics and has a wide range of applications in the food, cosmetics, and pharmaceutical industries. The current study focused on the isolation of honeybee propolis samples from three different locations in Saudi Arabia: Al Hada, Baljurashi, and Rawdat Khuraim, and the evaluation of their anti-cancer effect against human liver cancer cell lines (HeP-G2) and human breast cancer cell lines (MCF-7). Five chemical compounds present in the methanolic extract of propolis honeybee were detected by HPLC. Furthermore, molecular modeling studies were conducted to explain the mechanism of anti-cancer activity exerted by the active compounds. The propolis samples collected from the three isolation sites had anti-cancer activity against MCF-7 and HeP-G2. Samples collected from the Rawdat Khuraim site showed the highest inhibitory activity reaching 81.5% and 83.2% against MCF-7 and HeP-G2, respectively. HPLC detected four main active compounds from propolis samples: pinobanksin, pinocembrin, galangin, and xanthomicrol. The molecular docking technique showed that galangin and pinocembrin had higher anti-cancer activity than xanthomicrol and pinobanksin as the binding affinity of galangin and pinocembrin with the active sites of the topoisomerase IIβ enzyme was much greater.