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Vol. 35 No. 1 (2023): Vol 35 Issue 1

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Design, Synthesis, Characterization of Novel Sulfathiazole Derivatives and their in silico and in vitro Analysis against Multidrug-Resistance Tuberculosis using Docking Studies

https://doi.org/10.14233/ajchem.2023.26999
M. Jasmin Sheela
Department of Chemistry, Avinashilingam Institute for Home Science and Higher Education for Women, Coimbatore-641043, India
V. Sharulatha
Department of Chemistry, Avinashilingam Institute for Home Science and Higher Education for Women, Coimbatore-641043, India

Corresponding Author(s) : V. Sharulatha

sharulatha_chem@avinuty.ac.in

Asian Journal of Chemistry, Vol. 35 No. 1 (2023): Vol 35 Issue 1

Abstract

In this study, seven novel sulfathiazole derivatives were synthesized from sulfathiazole using different substituted aldehydes and characterized by IR, NMR and LC-MS analysis. Using molecular docking and toxicity prediction, all the seven novel sulfathiazole derivatives (Mol-14, Mol-15, Mol-21, Mol-27, Mol-36, Mol-39 and Mol-43) were virtually screened from generated 70 compounds and assessed their effectiveness against multidrug resistant Mycobacterium tuberculosis (MDR-TB). The Inha protein of TB were performed and all the compounds found to have good docking scores in the range of -7.2 to -9.1 Kcal/mol. Compound, 4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide (Mol-27) shown to inhibit the MDR-TB and wild-type TB strain with an MIC value of 1 μg/mL and 0.25, respectively. The standard sulfathiazole and isoniazid were compared to the minimal inhibitory concentration (MIC) of the synthesized Mol-14, Mol-15, Mol-21, Mol-27, Mol-36, Mol-39 and Mol-43 new sulfathiazole derivatives. Based on the results, these compounds shows promising activity against MDR-TB.

Keywords

Mycobacterium tuberculosis Sulfathiazole Docking studies ADMET Virtual screening
Jasmin Sheela, M., & Sharulatha, V. (2022). Design, Synthesis, Characterization of Novel Sulfathiazole Derivatives and their in silico and in vitro Analysis against Multidrug-Resistance Tuberculosis using Docking Studies. Asian Journal of Chemistry, 35(1), 165–172. https://doi.org/10.14233/ajchem.2023.26999
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