Biological Activities, DFT Calculations, and Molecular Docking Simulation of Thymol‐Based Compounds
Dicle Sahin,
Remziye Aysun Kepekci,
Mehran Feizi‐Dehnayebi
et al.
Abstract:A set of thymol‐based derivatives (3 a–d) was synthesized and characterized. Quantum chemical calculations were performed to explain the nature of the transitions in the absorption spectra. These new compounds were tested as anticancer agents on human liver (HepG2), lung (A549), and colon (DLD‐1) cancer cell lines using the 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyl tetrazolium bromide method showing in some cases higher antiproliferative properties than the reference drug cisplatin. All synthesized compounds w… Show more
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