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One-pot synthesis of methyl piperazinyl–quinolinyl nicotinonitrile derivatives under microwave conditions and molecular docking studies with DNA

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Abstract

Derivatives of methyl piperazinyl–quinolinyl nicotinonitrile were synthesised by one-pot method under microwave conditions. This was achieved using the Knoevenagel condensation reaction. The novel derivatives described above were purified by column chromatography and characterised by FT-IR, 1H, 13C, 2D-NMR and HRMS spectroscopic techniques. Furthermore, molecular docking was used to determine the binding sites of DNA with selected compounds. The synthetic method developed in this study showed several advantages including simplicity, high yield of products, coupled with safety and a short reaction time of 15 min.

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Acknowledgements

The authors gratefully acknowledge the financial support of the Durban University of Technology (DUT).

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Correspondence to Robert M. Gengan.

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13738_2018_1446_MOESM1_ESM.docx

Supplementary material 1 Full experimental detail, 1H and 13C NMR spectra, this material can be found via the “Supplementary content” section of this article’s webpage. (DOCX 12411 KB)

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Murugesan, A., Gengan, R.M. & Moodley, K.G. One-pot synthesis of methyl piperazinyl–quinolinyl nicotinonitrile derivatives under microwave conditions and molecular docking studies with DNA. J IRAN CHEM SOC 15, 2573–2584 (2018). https://doi.org/10.1007/s13738-018-1446-4

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