当前位置: X-MOL 学术J. Mol. Struct. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Synthesis, Structure, Preliminary Antimicrobial and Antimalarial Studies of 1,1′-(piperazine-1,4-diyl)bis(2-phenylethan-1-one) and its Lanthanide, Ce(III), Pr(III), and Nd(III) Complexes
Journal of Molecular Structure ( IF 4.0 ) Pub Date : 2023-12-11 , DOI: 10.1016/j.molstruc.2023.137287
Ocheni Adejoh , Pius Onyeoziri Ukoha , Eric C. Hosten , Nnaemeka Nnaji , Christopher O. Eze , Chigozie J.O. Anarado , Chukwujindu M.A. Iwegbue , K. Jayamoorthy , Oguejiofo T. Ujam

A dione ligand, 1,1′-(piperazine-1,4-diyl)bis(2-phenylethan-1-one) derived from the reaction of phenylacetylchloride with piperazine and the lanthanides, Ce(III), Nd(III), and Pr(III) complexes of general formula [LnL(NO3)2]NO3 were synthesized. The compounds were characterized by conventional NMR, Mass, and Infra-Red UV-vis spectroscopic techniques, melting point, elemental analysis, conductivity, thermogravimetric analysis, magnetic susceptibility, and single X-ray structure determination of the ligand. In vitro, antimicrobial studies indicate the ligand is active against Staphylococcus aureus, Bacillus Sublitis, Salmonella typhi, and Streptococcus pneumonae. The Ce(III) and Pr(III) complexes are active against all the microorganisms except A. Niger and Pseudomonas aeruginosa whereas the Ce(III) complex showed activity against Staphylococcus aureus, Bacillus Sublitis, and Streptococcus pneumonae. The In vivo anti-plasmodial assay of infected rats indicated that the ligand and Nd(III), Pr(III) complexes have high antiplasmodial potency in comparison to the antimalarial medicine Artesunate. In corroboration with findings on the enhanced antimicrobial properties of the complexes, binding energies from molecular docking correlated strongly with the inhibition zone diameter for Staphylococcus aureus and density functional theoretical studies suggest the presence of the metals account for the improved properties in the following order: Nd > Pr > Ce.



中文翻译:

1,1′-(哌嗪-1,4-二基)双(2-苯基乙烷-1-酮)及其镧系元素、Ce(III)、Pr(III)和Nd的合成、结构及初步抗菌和抗疟研究(三)复合物

二酮配体 1,1'-(哌嗪-1,4-二基)双(2-苯基乙烷-1-酮)衍生自苯乙酰氯与哌嗪和镧系元素 Ce(III)、Nd(III) 的反应,合成了通式[LnL(NO 3 ) 2 ]NO 3的Pr(III)络合物。通过常规核磁共振、质谱和红外紫外-可见光谱技术、熔点、元素分析、电导率、热重分析、磁化率和配体的单X射线结构测定对化合物进行了表征。体外抗菌研究表明,该配体对金黄色葡萄球菌、枯草芽孢杆菌、伤寒沙门氏菌肺炎链球菌具有活性。Ce(III) 和 Pr(III) 复合物对除黑曲霉铜绿假单胞菌之外的所有微生物都有活性,而 Ce(III) 复合物对金黄色葡萄球菌、枯草芽孢杆菌肺炎链球菌具有活性。对感染大鼠的体内抗疟原虫试验表明,与抗疟药物青蒿琥酯相比,配体和 Nd(III)、Pr(III) 配合物具有较高的抗疟原虫效力。与复合物增强抗菌特性的发现相证实,分子对接的结合能与金黄色葡萄球菌的抑菌圈直径密切相关,密度泛函理论研究表明金属的存在按以下顺序解释了特性的改善:Nd > Pr > Ce。

更新日期:2023-12-13
down
wechat
bug