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Article Dans Une Revue Journal of Molecular Structure Année : 2022

Synthesis, characterization, anti-tuberculosis activity and molecular modeling studies of thiourea derivatives bearing aminoguanidine moiety

Résumé

The emergence of drug-resistant Mycobacterium tuberculosis strains has posed a driving demand in the search for more effective treatment regimens for tuberculosis. In the present study, a series of novel thiourea derivatives containing aminoguanidine moiety were synthesized by the reaction of aminoguanidine and various isothiocyanates in an attempt to discern new potent active agents against tuberculosis. The structure of synthesized compounds was characterized by FTIR, 1H-NMR, 13C-NMR and HRMS. The proposed structure of compound BI19 was resolved using single X-ray crystallography. The compounds were tested in vitro against M. tuberculosis H37Rv for antitubercular activity. Some of them have high antimycobacterial action, for instance, BI-17 with a MIC value of 0.78 µM and low cytotoxicity. Furthermore, computational studies and enzyme inhibition experiments were performed to identify the target for the observed antitubercular effects.

Domaines

Chimie
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Dates et versions

hal-03797382 , version 1 (07-10-2022)

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Michael Tapera, Hüseyin Kekeçmuhammed, Kader Sahin, Vagolu Siva Krishna, Christian Lherbet, et al.. Synthesis, characterization, anti-tuberculosis activity and molecular modeling studies of thiourea derivatives bearing aminoguanidine moiety. Journal of Molecular Structure, 2022, 1270, pp.133899. ⟨10.1016/j.molstruc.2022.133899⟩. ⟨hal-03797382⟩
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