Design, Synthesis and Biological Evaluation of (Z)-1-(Benzo[D]Thiazol-2-yl)-2-(3-Substituted Thiazolidine-4-One) Hydrazine Dpre1 Inhibitors as Antimycobacterial Agents
Chandrakant G. Bonde, Ritesh P. Bhole, Ashish Asrodkar, Rupesh V Chikhale, Shailendra S. Gurav
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Abstract
A simple and promising methodology was employed for the synthesis of (Z)-1-(benzo[d]thiazol-2-yl)-2-(3-substituted thiazolidine-4-one) hydrazine as antitubercular agents. In vitro activity was tested against Mycobacterium tuberculosis. Two derivatives among all the synthesized compounds were found to be highly effective. Furthermore, to rationalize the observed biological activity data, a molecular docking study has also been carried out against a potential target DprE1 enzyme. The interaction was shown between the oxygen of thiazolidinediones and Ser228. The bond distance (O—H) is 2.35 Å. The π-π-stacking was seen between His137 and thiazole ring electrons. The binding score of compound 15 is –7 kcal/mol, which suggests an excellent binding affinity toward the Dpre1 receptor.
期刊介绍：
Pharmaceutical Chemistry Journal is a monthly publication devoted to scientific and technical research on the creation of new drugs and the improvement of manufacturing technology of drugs and intermediates. International contributors cover the entire spectrum of new drug research, including:
methods of synthesis;
results of pharmacological, toxicological, and biochemical studies;
investigation of structure - activity relationships in prediction of new compounds;
methods and technical facilities used; and
problems associated with the development of ecologically safe and economically feasible methods of industrial production.
In addition, analytical reviews of the international literature in the field provide coverage of the most recent developments around the world.
Pharmaceutical Chemistry Journal is a translation of the Russian journal Khimiko-Farmatsevticheskii Zhurnal. The Russian Volume Year is published in English from April.
All articles are peer-reviewed.
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