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

doi:10.1002/bio.3018

Paper

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

Published May 1, 2016 · Vibha Sharma, E. Arora, Savio Cardoza

Luminescence : the journal of biological and chemical luminescence

Q2 SJR score

13

Citations

0

Influential Citations

Full textSemantic Scholar

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.

In Vitro Study

Study Snapshot

The synthesized Schiff base 4-hydroxy-benzoic acid hydrazide (SL) shows potent antioxidant activity and binding ability to bovine serum albumin (BSA), suggesting potential as a novel anti-aging agent.

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

Sign up to use Study Snapshot

Consensus is limited without an account. Create an account or sign in to get more searches and use the Study Snapshot.

Create an account

Paper

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

Sign up to use Study Snapshot

References

Influence of reactive species on the modification of biomolecules generated from the soft plasma

Soft plasma with N2 gas has strong deformation action on biomolecules, potentially benefiting plasma medicine.

Structural studies of bovine, equine, and leporine serum albumin complexes with naproxen

Serum albumins from various species show differences in naproxen binding sites, influencing the affinity and binding mode of naproxen to this transport protein.

Influence of Reactive Oxygen Species on the Enzyme Stability and Activity in the Presence of Ionic Liquids

Ionic liquids can protect enzyme stability and activity in the presence of cold atmospheric pressure plasma jets, with TEAP effectively reducing reactive oxygen species damage.

Fluorescence quenching of bovine serum albumin by NNMB.

NNMB acts as a fluorescence quencher in the interaction between bovine serum albumin and bovine serum albumin, forming a complex and determining binding distance.

Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation and NLO, HOMO-LUMO, NBO analysis of organic 2,4,5-trichloroaniline.

The 2,4,5-trichloroaniline molecule shows non-zero microscopic nonlinear optical behavior, with B3LYP method being superior for molecular vibrational problems.

Citations

Combine Calculation and Experiment to Study the Undesired Polymerization of Styrene for Screening of Effective Inhibitors

A blend of 4hydroxy-TEMPO (40 wt.%) and EPHA (60 wt.%) is the optimal inhibitor for preventing undesired polymerization in styrene purification, reducing polymer growth by 7.2 % after 4 hours of operation.

Synthesis, Structure and Biological Activity of Hydrazones Derived from 2- and 4-Hydroxybenzoic Acid Hydrazides

Hydrazones derived from 2- and 4-hydroxybenzoic acid hydrazides show promising antimicrobial and antiradical activity.

New Synthetic Quinoline (Qui) Derivatives as Novel Antioxidants and Potential HSA’s Antioxidant Activity Modulators—Spectroscopic Studies

New synthetic quinoline derivatives Qui2 and Qui3 show potential as modulators of Human Serum Albumin's antioxidant activity, with Qui3 showing the highest antioxidant potential.

Density functional theory studies of the antioxidants—a review

Density functional theory/Becke three-parameter Lee–Yang–Parr (DFT/B3LYP) methodology effectively compares antioxidants, with spin density distribution (SDD) on oxygen being a more precise descriptor for chain reaction inhibition.

Spectroscopic investigations, concentration dependent SERS, and molecular docking studies of a benzoic acid derivative.

BCHB shows inclined orientation at concentrations 10-3 M, with variations in ring modes and electron-rich and poor sites, potentially supporting further pharmaceutical applications.

A Theoretical and Experimental Study for Screening Inhibitors for Styrene Polymerization

DTMBP/4-hydroxy-TEMPO blend effectively inhibits styrene polymerization, with a synergistic effect of 25 wt.% and 75 wt.%, resulting in 6.8% polymer growth after 4 hours.

Spectroscopic exploration and molecular docking analysis on interaction of synthesized schiff base ligand with serum albumins

This study reveals that a synthesized Schiff base ligand interacts with serum proteins, bovine and human, primarily through van der Waal or hydrogen bonding interactions.