Synthesis, DNA binding and molecular docking studies of 2H-benzo[b] [1,4] oxazines
![2H-benzo[b] [1,4] oxazines DNA binding](https://pubs.thesciencein.org/journal/public/journals/5/submission_1820_1821_coverImage_en.png)
DOI:
https://doi.org/10.62110/sciencein.btl.2025.v12.1153Keywords:
DNA intercalators, 1,4-Oxazines, ZnFe2O4 catalyst, DNA binding, Molecular dockingAbstract
A convenient method for synthesis of 2H-benzo[b] [1,4] oxazines has been achieved by cyclocondensation of substituted phenacyl bromides with aminophenols in ZnFe2O4 as a bimetallic and eco-friendly catalyst. The benefit of the current protocol includes mild reaction conditions, shorter reaction time, reusability of catalyst, ambient temperature, a simple work-up procedure, good yields. The in-house synthesized 2H-benzo[b] [1,4] oxazines were characterized by IR, 1H NMR, and mass spectra. To understand the mechanism of action and design-specific DNA binders, the evaluation of DNA–ligand interactions is critical. Among products, molecular docking studies revealed that 3b, 3c and 3d have the best interactions with the ct-DNA via the minor groove binding. The interaction profiles of the selected compound (3d) with DNA were evaluated by UV–Visible titration. UV–Visible titration data confirm this interaction. According to the molecular docking results, the Structure–Activity relationships for all synthesized 2H-benzo[b] [1,4] oxazines were proposed. It was observed that 3d have better DNA interactions than other derivatives.
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Copyright (c) 2025 P.J. Bindu, Ravikumar naik, G. Krishnamurthy

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