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Synthesis, characterization, biological and molecular docking assessment of computationally bioactive 1,3-thiazolidin-4-one derivatives bearing indole and bi-pyrimidine moieties

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Abstract

1,3-Thiazolidin-4-one derivatives bearing indole and bi-pyrimidine nucleuses (1–12) was designed and analyzed computationally for bioactivity. The synthesized compounds were characterized using FTIR, NMR and Mass Spectroscopy. The compounds (1–12) were then assessed for antibacterial therapeutic effects against the microbes [S. aureus (ATCC-25923), S. epidermidis (ATCC-29887),E. coli (ATCC-25922), and P. mirabilis (ATCC-25933)] using disk diffusion methods. The percent viability of the cells was analyzed by MTT against HepG2 cells to observe the cytotoxicity. Additionally, the molecular docking was carried out for the compounds (1–12) against the receptor GlcN-6P to assess the extent of H-bonding and the binding affinities.

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Acknowledgements

Dr. Mohammad Arshad is highly thankful to Dr. Feras Al-Marshad, The Dean College of Medicine, Al-Dawadmi, Shaqra University Kingdom of Saudi Arabia, for his kind support to accomplish this study.

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Authors and Affiliations

  1. Department of Basic Sciences, College of Medicine, Shaqra University, Al-Dawadmi, 11911, Kingdom of Saudi Arabia

    Mohammad Arshad

  2. Interdisciplinary Nanotechnology Centre, Aligarh Muslim University Aligarh, Aligarh, India

    Mohd Shoeb Khan

  3. Department of Chemistry, Faculty of Science, Aligarh Muslim University Aligarh, Aligarh, India

    Shahab A. A. Nami

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  1. Mohammad Arshad
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Arshad, M., Khan, M.S. & Nami, S.A.A. Synthesis, characterization, biological and molecular docking assessment of computationally bioactive 1,3-thiazolidin-4-one derivatives bearing indole and bi-pyrimidine moieties. J IRAN CHEM SOC 18, 2397–2406 (2021). https://doi.org/10.1007/s13738-021-02200-4

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  • DOI: https://doi.org/10.1007/s13738-021-02200-4

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