Elshafie Hazem S, Sadeek Sadeek A, Zordok Wael A, Mohamed Amira A
School of Agricultural, Forestry, Food and Environmental Sciences, University of Basilicata, Viale dell'Ateneo Lucano 10, 85100 Potenza, Italy.
Department of Chemistry, Faculty of Science, Zagazig University, 44519 Zagazig, Egypt.
Molecules. 2021 Mar 9;26(5):1480. doi: 10.3390/molecules26051480.
Recently, the design of new biological metal-ligand complexes has gained a special interest all over the world. In this research, new series of mixed ligand complexes from meloxicam (Hmel) and glycine (Gly) were synthesized. Structures of the compounds were investigated employing elemental analyses, infrared, electronic absorption, H NMR, thermal analyses, effective magnetic moment and conductivity. The estimated molar conductivity of the compounds in 1 × 10 M DMF solution indicates the non-electrolyte existence of the examined complexes. Additionally, the effective magnetic moment values refer to the complexes found as octahedral molecular geometry. The data of the infrared spectra showed the chelation of Hmel and Gly with metal ions from amide oxygen and nitrogen of the thyizol groups of Hmel and through nitrogen of the amide group and oxygen of the carboxylic group for Gly. Thermal analyses indicated that the new complexes have good thermal stability and initially lose hydration water molecules followed by coordinated water molecules, Gly and Hmel. The kinetic parameters were calculated graphically using Coats-Redfern and Horowitz-Metzeger methods at = 1 and ≠ 1. The density functional theory (DFT) calculations were performed at B3LYP levels. The optimized geometry of the ligand and its complexes were obtained based on the optimized structures. The data indicated that the complexes are soft with η value in the range 0.114 to 0.086, while η = 0.140 for free Hmel. The new prepared complexes were investigated as antibacterial and antifungal agents against some phyto- and human pathogens and the minimum inhibitory concentration (MIC) data showed that complex () has the lowest MIC for and (10.8 µg/mL).
最近,新型生物金属-配体配合物的设计在全球引起了特别关注。在本研究中,合成了美洛昔康(Hmel)和甘氨酸(Gly)的新系列混合配体配合物。采用元素分析、红外光谱、电子吸收光谱、核磁共振氢谱、热分析、有效磁矩和电导率对化合物的结构进行了研究。化合物在1×10 M二甲基甲酰胺溶液中的估计摩尔电导率表明所研究的配合物为非电解质。此外,有效磁矩值表明所发现的配合物具有八面体分子几何结构。红外光谱数据表明,Hmel和Gly通过Hmel噻唑基团的酰胺氧和氮以及Gly的酰胺基团的氮和羧基的氧与金属离子发生螯合作用。热分析表明,新配合物具有良好的热稳定性,最初失去结晶水分子,随后失去配位水分子、Gly和Hmel。使用Coats-Redfern和Horowitz-Metzeger方法在α = 1和α ≠ 1时通过图形计算动力学参数。在B3LYP水平上进行密度泛函理论(DFT)计算。基于优化结构获得了配体及其配合物的优化几何结构。数据表明,配合物较软,η值在0.114至0.086范围内,而游离Hmel的η = 0.140。对新制备的配合物作为抗菌和抗真菌剂针对一些植物和人类病原体进行了研究,最小抑菌浓度(MIC)数据表明配合物()对大肠杆菌和金黄色葡萄球菌的MIC最低(10.8 µg/mL)。