Evaluation of α-Amylase Inhibitory Activity, Molecular Modeling, Total Antioxidant and Theoretical Studies of Novel Schiff Base Transition Metal Complexes

By condensing pyrene-1-carbaldehyde and 4-aminoantipyrine, a Schiff base ligand, (Z)-1,5-dimethyl-2-phenyl-4-((pyren-1-ylmethylene)- amino)-1H-pyrazol-3(2H)-one and its Cu(II), Ni(II), Co(II) and Zn(II) complexes have been synthesized. The ligand and its metal complexes were characterized by FT-IR,...

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Veröffentlicht in:Asian journal of chemistry 2020-09, Vol.32 (9), p.2187-2194
Hauptverfasser: SUDHA, A., ARULMOZHI, S., ASKAR ALI, S.J.
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creator SUDHA, A.
ARULMOZHI, S.
ASKAR ALI, S.J.
description By condensing pyrene-1-carbaldehyde and 4-aminoantipyrine, a Schiff base ligand, (Z)-1,5-dimethyl-2-phenyl-4-((pyren-1-ylmethylene)- amino)-1H-pyrazol-3(2H)-one and its Cu(II), Ni(II), Co(II) and Zn(II) complexes have been synthesized. The ligand and its metal complexes were characterized by FT-IR, UV-visible, 1H & 13C NMR, ESI-mass spectra and elemental analysis. The antidiabetic and antioxidant activities of the synthesized Schiff base ligand and its metal complexes were studied. The molecular docking study of human pancreatic α-amylase (PDB: 1HNY). Furthermore, Theoretical analysis of geometry optimization and frontier molecular orbital analysis (HOMOLUMO) was accomplished by density functional theory using B3LYP/3-21G*++ basis sets to understand the chemical stability of the synthesized ligand and their metal(II) complexes.
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title Evaluation of α-Amylase Inhibitory Activity, Molecular Modeling, Total Antioxidant and Theoretical Studies of Novel Schiff Base Transition Metal Complexes
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