Title
In vitro and molecular docking and analysis of isoxazoline derivatives with DPPH
Authors
C Geetha & PR Rajakumar*
Affiliation
PG & Research Department of Chemistry, Government Arts College, C. Mutlur 608 102, Chidambaram, India
Email - prraajakumar@gmail.com & Email: drsmgac@gmail.com; *Corresponding author
Article Type
Research Article
Date
Received September 10, 2020; Revision September 26, 2020; Accepted September 26, 2020; Published November 30, 2020
Abstract
A series of isoxazoline derivatives (4a-i) was synthesized from the reaction of 3-(4-fluorophenyl)-1-phenylprop-2-en-1-one derivatives (4a-i) and hydroxylamine hydrochloride in ethanol at reflux conditions. The compounds were confirmed by spectral (IR, 1H & 13C NMR) and elemental analysis. The compounds were screened for their in vitro antioxidant activity against DPPH. We show that compound #4i has potential antioxidant activity. The Molecular docking analysis of the compound with DPPH shows strong hydrogen bonding interactions with several amino acid residues of the protein tyrosine kinase enzyme structure (PDB ID: 2HCK) for effective inhibition.
Keywords
In vitro, molecular docking, isoxazoline derivatives, DPPH
Citation
Geetha & Rajakumar, Bioinformation 16(11): 807-816 (2020)
Edited by
P Kangueane
ISSN
0973-2063
Publisher
License
This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
