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Synthesis, docking study and anti-inflammatory studies of some flavanones

机译:Synthesis, docking study and anti-inflammatory studies of some flavanones

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? 2021 Indian Drug Manufacturers' Association. All rights reserved.In this work, a series of flavanones (P1-P9) was synthesized by cyclization of substituted (hydroxyphenyl)-3-(phenyl) prop-2-en-1-ones (S1-S9). The structures of the synthesized compounds were characterized by IR, 1H NMR and mass spectral data. These derivatives were evaluated for anti-inflammatory activity. Compounds P1, P3, P6 and P7 showed excellent anti-inflammatory activity as compared to standard drug diclofenac sodium. Molecular docking of these flavanones (P1-P9) was also performed with receptor phosphoinositide-3-kinase PI3Kδ (PDB code: 5ITD). All the flavanones (P1-P9) were docked into same groove of the binding site of native co-crystallized (5-{4-3-(4-acetylpiperazine-1-carbonyl) phenyl quinazolin-6-yl}-2-methoxypyridine carbonitrile) ligand for activity explanation and exhibited good ligand interaction and binding affinity were of range -4.57 to -8.79kcal/mol.

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