Synthesis, Biological Evaluation and Theoretical Studies of Hydrazone Derivatives

Abstract

The aim of this work is to synthesize, characterize and evaluate the biological activity of a series of hydrazone derivatives. These compounds were characterized by elemental analysis, IR spectroscopy, mass spectrometry, UV-Vis Spectroscopy, 1HNMR spectra. In vitro, their antibacterial and antifungal activities were screened against bacterial species (Staphylococcus aureus, Pseudomonas aeruginosa and Escherichia coli) and fungi (Candida sp). Amikacin was used as references for antibacterial and antifungal studies. The compounds were optimized at DFT/B3LYP/6-31G (d,p) level of theory. In silico, The Toxicity of the hydrazone derivatives were studied by ADMET(Absorption, distribution, metabolism, excretion, and toxicity) simulations using ADMET lab 2.0 server. The molecular docking studies are carried out to better comprehend the preferential mode of binding of these compounds against biomecular targets such as InhA enzyme characteristic of Mycobacterium Tuberculosis bacteria.

Keywords

• Hydrazone derivative
• Synthesis
• Antibacterial activity
• Theoretical study.

References

1. Abdullah Shah, M., & Hussain, H. (2022). Synthesis and characterization of novel hydrazone derivatives of is nicotinic hydrazide and their evaluation for antibacterial and cytotoxic potential. Molecules, 27, 6770-6782.
2. Andersson, B., Mishra,K., Forsgren,N., Ekstrom, F., & Linusson, A. (2020). Physical mechanisms governing substituent effects on arene–arene ınteractions in a protein milieu, The Journal of Physical Chemistry B, 124(30), 6529.
3. Angelova, V. T., Valcheva, V., Pencheva, T., Voynikov, Y., Vassilev,N., Mihaylova, R., Momekov, G., & Shivachev, B. (2017). Synthesis, antimycobacterial activity and docking study of 2-aroyl benzopyrano[4,3-c] pyrazol-4(1H)-one derivatives and related hydrazide-hydrazones, Bioorganic & Medicinal Chemistry Letters, 27(13), 2996–3002.