Metal
(II) complexes of Cobalt(II) (1), Copper(II) (2), Nickel(II) (3), and Zinc(II)
(4) with Schiff base ligand derived from furan-2-carbaldehyde were synthesized
and elucidated by IR, electronic, mass, 1H NMR, magnetic
susceptibility measurements. Using DFT-based optimization of structures, bond
length, bond angle, HOMO-LUMO energy gaps and molecular electrostatic potential
maps (MEP) of ligand and complexes 1-3 were theoretically calculated at the
B3LYP/LANL2DZ level of theory. HOMO-LUMO energy gap was calculated which
allowed the calculation of relative properties like chemical hardness, chemical
inertness, chemical potential. The Ni(II) and Cu(II) complexes showed potent
inhibition against all the bacterial strains. In comparison with antibacterial
activity, molecular docking studies were carried out with protein receptor SEC2 (PDB:
1STE) in Staphylococcus aureus
Birincil Dil | İngilizce |
---|---|
Konular | İnorganik Kimya, Kimya Mühendisliği |
Bölüm | Makaleler |
Yazarlar | |
Yayımlanma Tarihi | 23 Haziran 2020 |
Gönderilme Tarihi | 6 Ekim 2018 |
Kabul Tarihi | 4 Mayıs 2020 |
Yayımlandığı Sayı | Yıl 2020 Cilt: 7 Sayı: 2 |