Autors: Violina T. Angelova., Tania Pencheva., Nikolay Vassilev., Yovkova, E. K., Rositsa Mihaylova., Boris Petrov., Violeta Valcheva.
Title: Development of New Antimycobacterial Sulfonyl Hydrazones and 4-Methyl-1,2,3-thiadiazole-Based Hydrazone Derivatives
Keywords: antimycobacterial activity; ADME/Tox predictions; cytotoxici

Abstract: Fifteen 4-methyl-1,2,3-thiadiazole-based hydrazone derivatives 3a–d and sulfonyl hydrazones 5a–k were synthesized. They were characterized by 1H-NMR, 13C NMR, and HRMS. Mycobacterium tuberculosis strain H37Rv was used to assess their antimycobacterial activity. All compounds demonstrated significant MIC from 0.07 to 0.32, comparable to those of isoniazid. The hydrazone derivative 3d demonstrated the highest antimycobacterial activity (MIC = 0.0730M) and minimal associated cytotoxicity against two normal cell lines (SI = 3516,and SI = 2979). The next in order, 5g and 5k, with MIC 0.0763 and 0.0716 M, respectively, also demonstrated comparable minimal cytotoxicity. All compounds were subjected to ADME/Tox predictions and showed correspondence to Lipinski’s Ro5, and none were at risk of toxicity. The suitable scores of molecular docking performed on two crystallographic structures of enoyl-ACP reductase (InhA) provide promising insight into possible interaction with the InhA receptor.

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    Issue

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    Вид: статия в списание, публикация в издание с импакт фактор, публикация в реферирано издание, индексирана в Scopus