4-hydroxy-benzoic acid (4-diethylamino-2-hydroxy-benzylidene)hydrazide: DFT, antioxidant, spectroscopic and molecular docking studies with BSA

Luminescence : the Journal of Biological and Chemical Luminescence
Vibha SharmaSavio Cardoza

Abstract

The Schiff base 4-hydroxy-benzoic acid (4-diethylamino-2-hydroxy-benzylidene) hydrazide (SL) was synthesized and characterized. Its antioxidant activity was evaluated using 1,1-diphenyl-2-picrylhydrazyl (DPPH) free radical scavenging action. Being a potent antioxidant its binding ability to the transport protein bovine serum albumin (BSA) was studied using fluorescence quenching and circular dichroism (CD) studies. The binding distance has been calculated by fluorescence resonance energy transfer (FRET) to be 1.85 Å and the Stern-Volmer quenching constant has been calculated to be (3.23 ± 0.45) × 10(5)  M(-1). Quantum chemical analysis was carried out for the Schiff base using DFT with B3LYP and 6-311G** and related to the experimentally obtained results. For a deeper understanding of the mechanism of the interaction, the experimental data were complemented by protein-Schiff base docking calculations using Argus Lab.

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Citations

Oct 31, 2016·Food Science and Biotechnology·Cengiz SarikurkcuBektas Tepe
Jul 8, 2017·Bioinorganic Chemistry and Applications·Narendra Kumar Chaudhary, Parashuram Mishra
Dec 15, 2020·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Maria Cristina GamberiniCecilia Baraldi
Sep 1, 2021·Journal of Molecular Modeling·Samira MahmoudiMohammad Hossein Asgarshamsi

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