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Emphasized DFT, DNA binding, and electrochemical studies of hybrid 1,3,4-thiadiazole-linked chalcone confined via a sulfur bridge

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Abstract

We have investigated the photophysical properties of chalcone derivatives by UV-visible absorption spectra. The HOMO–LUMO energies were calculated. Electrochemical properties of the compounds (5a–5d) via cyclic voltammetry showed that compounds have oxidation peaks. In addition, chalcone derivatives were analyzed for DNA binding study. It revealed that chalcone derivatives had a promising affinity towards DNA double helix. DNA binding constants of the complexes indicate the intercalative binding mode involving a strong aromatic chromophore and DNA base pairs.

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Synopsis: We have calculated the photophysical and electrochemical properties of chalcone derivatives by UV-visible absorption spectra. Along with this DNA binding studies were also performed.

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Acknowledgments

Dr Vinuta Kamat is thankful to M. S. Ramaiah Institute of Technology for providing instrument facilities.

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Authors and Affiliations

  1. Department of Chemistry, Mangalore University, Mangalagangothri, Mangalore, 574199, India

    Vinuta Kamat & Boja Poojary

  2. DoS in Physics, University of Mysore, Manasagangotri, Mysuru, 570006, India

    N R Bhavya & M Mahendra

  3. Department of Physics, Vidyavardhaka college of Engineering, Mysuru, 570002, India

    N R Bhavya

  4. Institute of Energetic Materials, Faculty of Chemical Technology, University of Pardubice, Studentska 95, 53210, Pardubice II, Czech Republic

    Veerabhadragouda B Patil

  5. Department of Studies and Research in Materials Science, Gulbarga University, Kalaburagi, 585106, India

    Veerabhadragouda B Patil

  6. Department of Studies and Research in Organic Chemistry, Tumkur University, Tumakuru, 572103, India

    Golla Ramesh

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  1. Vinuta Kamat
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  2. N R Bhavya
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Correspondence to Boja Poojary.

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Kamat, V., Bhavya, N.R., Poojary, B. et al. Emphasized DFT, DNA binding, and electrochemical studies of hybrid 1,3,4-thiadiazole-linked chalcone confined via a sulfur bridge. J Chem Sci 136, 31 (2024). https://doi.org/10.1007/s12039-024-02265-7

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  • DOI: https://doi.org/10.1007/s12039-024-02265-7

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