Cinnamaldehyde-based hydrazone schiff bases as inhibitors of pepsin and trypsin: A comparative study

IF 4 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Structure Pub Date : 2024-11-23 DOI:10.1016/j.molstruc.2024.140845

Chanchal Vashisth , Nitin Kumar Verma , Neera Raghav

引用次数: 0

Abstract

Selective targeting by a therapeutic agent is of significant importance in the development of a medicinally important compound. In the present work, we report preferential inhibition of pepsin by cinnamaldehyde-based hydrazone schiff bases over trypsin, keeping in view the significance of the development of protease inhibitors. The results revealed the significance of these hydrazone-hybrid molecules of cinnamaldehyde in inhibiting pepsin and trypsin at respective concentrations of 1 × 10⁻⁸ M and 1 × 10⁻⁷ M Compounds 2 and 7 demonstrated the highest inhibition, with approximately 79 % and 80 % at the respective concentrations for trypsin and pepsin. The respective IC₅₀ values were found to be 4.4 nM and 0.76 nM. The findings from the in vitro experiments were authenticated by in silico studies.

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来源期刊

Journal of Molecular Structure 化学-物理化学

CiteScore

7.10

自引率

15.80%

发文量

2384

审稿时长

45 days

期刊介绍： The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.