Synthesis of 2-styrylchromones: In vitro and in silico anticancer activity evaluation

The efforts to obtain cancer drugs are still a topic of many research studies considering that cancer is one of the main causes of human death. 2-Styrylchromones are a group of compounds with potential anticancer activity. This research was conducted to synthesize some 2-styrylchromones which involved the formation of 2-methylchromone, followed by aldol condensation with various benzaldehydes. The compound structures were determined using spectroscopic methods, which included ultra violet-visible, Fourier-transform infrared, proton nuclear magnetic resonance, carbon nuclear magnetic resonance- attached proton test APT, and high-resolution mass spectrometry. The toxicity test of the synthesized compounds was carried out in vitro against Henrietta Lacks cancer cells and in silico by molecular docking of the human kinesin Eg5 receptor. The results showed that the synthesized compound substituted with three methoxy groups presented the best anticancer activity, both in vitro (inhibition 100%) and in silico tests (grid score −41,029 kcal/mol).