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Updated: Jun 20, 2026

System for Efficacy and Cytotoxicity Screening of Inhibitors Targeting Intracellular Mycobacterium tuberculosis
Published on: April 5, 2017
[Prognostication of toxicity of a group of chemical compounds comprising anti-tuberculosis medicines by the
Abstract:
Balaban (J), Wiener (W), and Rouvray (R) topological indices as well as detour (Ip) and electropy (Ie) indices reflecting the structure of chemical substances were used to establish correlation between median lethal dose (LD50) of an anti-tuberculosis medicine and its molecular structure. Monocyclic compounds showed linear correlation between LD50 values and Balaban index (R = 0.93). Correlation between a maximum daily dose and electropy index was typical of the products having a more complicated structure. Results of this study open up prospects for the development of new anti-tuberculosis medicinal preparations characterized by reduced toxicity.
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