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Vol. 32 No. 9 (2020): Vol 32 Issue 9, 2020

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

https://doi.org/10.14233/ajchem.2020.22783
A. Sudha
Post-Graduate and Research Department of Chemistry, The New College (Autonomous), Affiliated to University of Madras, Chennai-600014, India
S. Arulmozhi
Post-Graduate and Research Department of Chemistry, The New College (Autonomous), Affiliated to University of Madras, Chennai-600014, India
S.J. Askar Ali
Post-Graduate and Research Department of Chemistry, The New College (Autonomous), Affiliated to University of Madras, Chennai-600014, India

Corresponding Author(s) : S.J. Askar Ali

askaralisj@gmail.com

Asian Journal of Chemistry, Vol. 32 No. 9 (2020): Vol 32 Issue 9, 2020

Abstract

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 (HOMO-LUMO) 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.

Keywords

Biological studies Biological studies Molecular docking Molecular docking Geometry optimization Geometry optimization Density functional theory Density functional theory
Sudha, A., Arulmozhi, S., & Askar Ali, S. (2020). Evaluation of α-Amylase Inhibitory Activity, Molecular Modeling, Total Antioxidant and Theoretical Studies of Novel Schiff Base Transition Metal Complexes. Asian Journal of Chemistry, 32(9), 2187–2194. https://doi.org/10.14233/ajchem.2020.22783
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