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  • Thiazole heterocycles constitute an interesting class

    2024-06-24

    Thiazole heterocycles constitute an interesting class of molecules, which exhibit a broad spectrum of biological activity, including antifungal properties [[16], [17], [18], [19]]. Encouraged by our previous study that describes the activity of hydrazine-thiazole derivatives against C. gattii and C. neoformans [20], we decided to synthesize novel compounds of this class in order to investigate their activity against different Tarafenacin australia of fungi.
    Materials and methods
    Results and discussion
    Conclusions Evaluation of in vitro antifungal activity of novel hydrazine thiazoles revealed that several of them showed potent activity against clinically important Candida and Cryptococcus species, with MIC values ranging from low micromolar to nanomolar. These results demonstrate the significant potential of this class of compounds as antifungal agents. In addition, the active compounds showed low cytotoxicity to human embryonic kidney cells. All generated QSAR and similarity models were robust and have high predictive power in performed validations. Furthermore, all models were employed to provide physicochemical interpretations, which corroborated experimental SAR studies and, therefore, parasitism can be employed in the design of new antifungal agents. Further synthesis followed by molecular modeling studies will be carried out to increase the antifungal potency of hydrazine-thiazole derivatives. In this sense, new QSAR models can be generated using compounds 10–15 in training set, as well as, planned derivatives in order to increase applicability domain of proposed models. Both generated 2D- and 3D-QSAR models presented satisfactory internal and external validations parameters and further studies could increase the accuracy of models and increase the range of prediction for new compounds.
    Conflicts of interest
    Acknowledgements The authors thank the Fundação de Amparo à Pesquisa de Minas Gerais (FAPEMIG), Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) and Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) for financial support. The authors thank also Centro de Pesquisas René Rachou (FIOCRUZ) for providing high-resolution mass-spectra and OpenEye Scientific Software for OMEGA and ROCS academic licenses.