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In vitro and molecular docking and analysis of isoxazoline derivatives with DPPH.

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.

SUBMITTER: Geetha C

PROVIDER: S-EPMC8573471 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Evaluation of anti-inflammatory activity and molecular docking study of new aza-bicyclic isoxazoline acylhydrazone derivatives.

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