Bahry Manhel R, Al-Noor Taghreed H, Fardous Ali M, Heydari Ahmad R, Abdou Aly, Fayez Shaimaa, El-Shazly Mohamed, Saleh Na'il
Department of Nutrition and Food Science, Wayne State University, Detroit, Michigan 48202, U.S.A.
Department of Chemistry, Education of Pure Science, College Ibn Al-Haitham, University of Baghdad, Baghdad, Iraq.
Curr Pharm Des. 2024;30(23):1852-1866. doi: 10.2174/0113816128298883240509110406.
This study focuses on the development of novel antimicrobial agents. A Schiff base ligand, 6-(2-(4-hydroxy-3-methoxybenzylideneamino)-2-(4-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo- 4-thia-1-azabicyclo [3.2.0] heptane-2-carboxylic acid, synthesized through the condensation of amoxicillin and vanillin in methanol, served as the foundation. Polydentate mixed ligand complexes were then formed by reacting the Schiff base with metal ions (Fe(II), Co(II), Ni(II), Cu(II), and Zn(II)) and nicotinamide in specific ratios.
Characterization involved various techniques, such as H-NMR, FT-IR, UV-Vis, and elemental analysis for the ligand, and Atomic Absorption, FT-IR, UV-Vis, magnetic susceptibility, and conductance measurements for the Schiff base-metal ion complexes.
Quantum chemical features of both ligands and metal complexes were computed, refining their electronic and molecular structures theoretically. Antimicrobial activity against , and was assessed for the starting materials, ligands, and synthesized complexes, revealing significant effects on certain species. binding modes with (PDB ID: 5iq9) were determined through molecular docking.
This study underscores the potential applications of the Schiff base ligands and their metal complexes in developing new antimicrobial agents.
本研究聚焦于新型抗菌剂的开发。一种席夫碱配体，即通过阿莫西林与香草醛在甲醇中缩合合成的6-(2-(4-羟基-3-甲氧基苄叉氨基)-2-(4-羟基苯基)乙酰胺基)-3,3-二甲基-7-氧代-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-羧酸，作为基础。然后使席夫碱与金属离子（Fe(II)、Co(II)、Ni(II)、Cu(II)和Zn(II)）以及烟酰胺按特定比例反应，形成多齿混合配体配合物。
表征涉及多种技术，如用于配体的¹H-NMR、FT-IR、UV-Vis和元素分析，以及用于席夫碱-金属离子配合物的原子吸收、FT-IR、UV-Vis、磁化率和电导率测量。
计算了配体和金属配合物的量子化学特征，从理论上优化了它们的电子和分子结构。评估了起始原料、配体和合成配合物对金黄色葡萄球菌、大肠杆菌和白色念珠菌的抗菌活性，发现对某些菌种有显著影响。通过分子对接确定了配合物与DNA（PDB ID：5iq9）的结合模式。
本研究强调了席夫碱配体及其金属配合物在开发新型抗菌剂方面的潜在应用。
