Synthesis, Characterization, Molecular Docking, and In Vitro Biological Activities of Schiff Base Metal Complexes With Furan Moiety

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초록

Herein, Cu(II), Zn(II), and Cd(II) complexes with furan-derived Schiff base ligand, (E)-N1,N1-diethyl-N2-(furan-2-ylmethylene)ethane-1,2-diamine(DEF), were synthesized. The synthesized ligand and M(II) (M = Cu, Zn, and Cd) complexes were characterized to confirm their purity and successful synthesis using 1H NMR, 13C NMR, and FTIR spectroscopy. Thermal analysis demonstrated their stability, whereas UV-Vis spectroscopy and molar conductance studies provided insights into their electronic properties and coordination behavior. Additionally, X-ray diffraction studies indicated that the Zn(II) and Cd(II) complexes have distorted tetrahedral geometries, whereas the Cu(II) complex adopted distorted square planar geometry. The studied complexes showed remarkable free-radical scavenging activity. Furthermore, they exhibited good inhibitory activity against urease and alpha-amylose. In particular, [Cu(DEF)Cl2] showed the best antioxidant activity, with an IC50 of 3.21 +/- 0.19 mu M, and the highest alpha-amylose inhibitory activities, with an IC50 of 6.11 +/- 0.33 mu M. Moreover, [Cd(DEF)Br2] proved to be more potent against Jack bean and Bacillus pasteurii ureases, with IC50 values of 3.90 +/- 0.11 mu M and 6.01 +/- 0.10 mu M, respectively. Molecular docking studies showed a good correlation between the biological activities of the synthesized [M(DEF)X2] complexes. Thus, the proposed compounds can serve as promising candidates for the treatment of infectious diseases.

키워드

<italic>alpha</italic>-amylase; antioxidant; furan-derived ligand; molecular docking; urease inhibition; X-ray structures; ZINC(II) COMPLEXES; STRUCTURAL-ANALYSIS; CRYSTAL-STRUCTURES; UREASE INHIBITORS; DERIVATIVES; COPPER(II); ZN(II); POLYMERIZATION; ANTICANCER; CHEMISTRY
제목
Synthesis, Characterization, Molecular Docking, and In Vitro Biological Activities of Schiff Base Metal Complexes With Furan Moiety
저자
Nayab, Saira; Jan, Kalsoom; Khan, Waliullha; Subhan, Amjad; Nguyen, Nhi Thi Xuan; Son, Younghu; Yoon, Minyoung; Lee, Hyosun
DOI
10.1002/aoc.70116
발행일
2025-04
유형
Article
저널명
Applied Organometallic Chemistry
권
39
호
4