Synthesis and Anticancer Potential of New Benzimidazole Theranostic
Abstract
A series of novel benzimidazole analogs is designed, synthesized, and screened against a panel of selected cancer cell lines, including H103 (oral squamous cell carcinoma, OSCC), H314 (OSCC), and HCT116 (colorectal carcinoma). Structural characterization of the compounds is successfully confirmed using nuclear magnetic resonance spectroscopy (1H and 13C) and liquid chromatography-mass spectrometry. Within the series, compound V7 emerged as a promising anticancer candidate, displaying broad-spectrum activity with high selectivity toward the tested cancer cell lines (half-maximal inhibitory concentration, IC50: H103 = 11.64 μM, H314 = 16.68 μM, HCT11 = 13.30 μM). Furthermore, the observed sirtuin 2 (SIRT2) inhibitory activity of V7 suggests a potential link to its anticancer effects. Molecular docking analysis reveals the importance of a hydroxyl group at the ortho position of the 2-phenyl ring in rendering SIRT2 inhibitory activity. Notably, the high autofluorescent properties of V7 (molar absorptivity ε = 34,477 M-1 cm-1, quantum yield Φ = 26%, and Stokes shift Δλ = 166 nm) indicate potential for further development as a theranostic agent for cancer.
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