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Bentham Science Publishers, Current Computer Aided-Drug Design, 4(18), p. 247-257, 2022

DOI: 10.2174/1573409918666220610162158

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Synthesis, Molecular docking, Antioxidant, Anti-TB, and Potent MCF-7 Anticancer Studies of Novel Aryl-carbohydrazide Analogues

Journal article published in 2022 by Suraj N. Mali ORCID, Bapu R. Thorat, Rahul R. Wagh, Ramesh S. Yamgar
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Background: Hydrazide-hydrazone based compounds are reported for their wider pharmacological potentials. Methods: In present work, we synthesized 10 new Schiff based-aryl-carbohydrazide (3a-3e) and (4a-4e), analogues and characterized further using standard spectroscopic techniques including NMR, mass and FT-IR. Moreover, all synthesized compounds were subjected for in-vitro anti-TB, anti-microbial, antioxidant and anti-MCF-7 cell line studies. Results: Our results suggested that compounds are having strong potencies against studied microbial species (such as 3a, 3b and 3c, (anti-TB activity: MIC value of 1.6 µg/mL; 3c:80.23 % inhibition at 200 µg/mL against MCF-7). Synthesized compounds (3a-3e) and (4a-4e) were also retained with higher docking scores than standards like ciprofloxacin; when studied for their molecular docking analysis against common anti-bacterial (pdb id:1d7u; 3a: -4.909 kcal/mol), common anti-fungal (pdb id:1ai9; 3b: -6.122 kcal/mol) and enoyl acyl reductase enzyme (pdb id:2x22; 3c: docking score: -4.194 kcal/mol)) targets. Conclusion: Thus, considering promising results for Schiff based-aryl-carbohydrazides, these compounds may emerge as new class for the development of potent anti-microbial agents in near future.