Autors: Angelova V.T., Pencheva T., Buyukliev R., Yovkova, E. K., Valkova I., Momekov G., Vulcheva V.
Title: Antimycobacterial Activity, In Silico ADME Evaluation, and Docking Study of Novel Thiazolidinedione and Imidazolidinone Conjugates
Keywords: Thiazolidine-2,4-dione, Hydantoin derivatives, Antimycobacte

Abstract: A series of new thiazolidine-2,4-dione and hydantoin derivatives were synthesized by Knoevenagel condensation. The compounds were identified by their melting points, 1H NMR, 13C NMR, and HR-MS spectral data. The in vitro antimycobacterial activity was evaluated against reference strain Mycobacterium tuberculosis H37Rv and compared to that of the first-line antituberculosis drugs isoniazid (INH) and ethambutol (EMB). The new compounds showed promising antimycobacterial activity (MIC ranging from 0.75 to 1.54 µM) and low cytotoxicity in the human embryonic kidney cell line HEK-293T (IC50 > 200 µM). The most potent compounds (IIIa) and (V) could be promising drug candidates for further development. In silico ADME screening revealed the biological potential of all synthesized compounds using SwissADME online biological activity prediction software. Molecular docking studies were carried out as well to confirm the groove mode of binding and receptor-complex interactions.

References

    Issue

    Russian Journal of Bioorganic Chemisrty, vol. 47, issue 1, pp. 122-133, 2021, Russia, Pleiades Publishing, ISBN 10681620, 1608330X

    Copyright Russian Journal of Bioorganic Chemisrty

    Цитирания (Citation/s):
    1. Reddy, Ganji Sreekanth, et al. "Design, Synthesis, and Biological Evaluation of Fluoroquinolones Linked to 4-Thiazolidinone Moieties as Potent Antimicrobial Agents: Docking Analysis." Russian Journal of General Chemistry 92.9 (2022): 1749-1760. - 2022 - в издания, индексирани в Scopus или Web of Science

    Вид: статия в списание, публикация в издание с импакт фактор, публикация в реферирано издание, индексирана в Scopus и Web of Science