Open AccessEvaluation of α-Amylase Inhibitory Activity, Molecular Modeling, Total Antioxidant and Theoretical Studies of Novel Schiff Base Transition Metal Complexes
Author(s) -
A. Sudha,
S. Arulmozhi,
S.J. Askar Ali
Publication year - 2020
Publication title -
asian journal of chemistry/asian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.145
H-Index - 34
eISSN - 0975-427X
pISSN - 0970-7077
DOI - 10.14233/ajchem.2020.22783
Subject(s) - chemistry , schiff base , ligand (biochemistry) , carbon 13 nmr , density functional theory , metal , transition metal , elemental analysis , proton nmr , crystallography , stereochemistry , computational chemistry , inorganic chemistry , organic chemistry , catalysis , biochemistry , receptor
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 complexeswere characterized by FT-IR, UV-visible, 1H & 13C NMR, ESI-mass spectra and elemental analysis. The antidiabetic and antioxidantactivities of the synthesized Schiff base ligand and its metal complexes were studied. The molecular docking study of human pancreaticα-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 thesynthesized ligand and their metal(II) complexes.