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Current Computer-Aided Drug Design

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ISSN (Print): 1573-4099
ISSN (Online): 1875-6697

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Letter Article

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

Author(s): Bapu R. Thorat, Suraj N. Mali*, Rahul R. Wagh and Ramesh S. Yamgar

Volume 18, Issue 4, 2022

Published on: 16 September, 2022

Page: [247 - 257] Pages: 11

DOI: 10.2174/1573409918666220610162158

Price: $65

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Abstract

Background: Hydrazide-hydrazone-based compounds are reported for their wider pharmacological potentials.

Methods: In the 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 to in vitro anti-TB, anti-microbial, antioxidant and anti-MCF-7 cell line studies.

Results: Our results suggested that compounds have 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 a new class for developing potent anti-microbial agents in the near future.

Keywords: Carbohydrazide, anti-oxidant activity, anti-cancer, in silico analysis, anti-microbial activity, synthesis.

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