Synthesis, characterization, PXRD studies, and theoretical calculation of the effect of gamma irradiation and antimicrobial studies on novel Pd(II), Cu(II), and Cu(I) complexes

被引：8

作者：

Hassan, Safaa S. ^{[1
]}

Aly, Samar A. ^{[2
]}

Al-Sulami, Ahlam I. ^{[3
]}

Albohy, Salwa A. H. ^{[4
]}

Salem, Mohamed F. ^{[2
]}

Nasr, Ghada M. ^{[5
]}

Abdalla, Ehab M. ^{[6
]}

机构：

[1] Cairo Univ, Fac Sci, Chem Dept, Giza, Egypt

[2] Univ Sadat City, Genet Engn & Biotechnol Res Inst, Dept Environm Biotechnol, Sadat, Egypt

[3] Univ Jeddah, Coll Sci, Dept Chem, Jeddah, Saudi Arabia

[4] Al Azhar Univ, Fac Sci Girls, Chem Dept, Cairo, Egypt

[5] Univ Sadat City, Genet Engn & Biotechnol Res Inst, Dept Mol Diagnost & Therapeut, Sadat, Egypt

[6] New Valley Univ, Fac Sci, Chem Dept, El Kharga, Egypt

来源：

FRONTIERS IN CHEMISTRY | 2024年 / 12卷

关键词：

complexes; gamma-irradiation; antimicrobial; thermal; DFT; molecular docking; TRANSITION-METAL-COMPLEXES; SCHIFF-BASE LIGANDS; CRYSTAL-STRUCTURE; IN-VITRO; ANTIBACTERIAL ACTIVITY; ANTIMALARIAL ACTIVITY; COPPER(II) COMPLEXES; ANTIOXIDANT ACTIVITY; TRIAZOLE HYDRAZONES; DNA-BINDING;

D O I：

10.3389/fchem.2024.1357330

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The main objective of this study is to synthesize and characterize of a new three complexes of Pd (II), Cu (II), and Cu (I) metal ions with novel ligand ((Z)-2-(phenylamino)-N'-(thiophen-2-ylmethylene)acetohydrazide) H2LB. The structural composition of new compounds was assessed using several analytical techniques including FT-IR, H-1-NMR, electronic spectra, powder X-ray diffraction, and thermal behavior analysis. The Gaussian09 program employed the Density Functional Theory (DFT) approach to optimize the geometry of all synthesized compounds, therefore obtaining the most favorable structures and crucial parameters. An investigation was conducted to examine the impact of gamma-irradiation on ligands and complexes. Before and after gamma-irradiation, the antimicrobial efficiency was investigated for the activity of ligands and their chelates. The Cu(I) complex demonstrated enhanced antibacterial activity after irradiation, as well as other standard medications such as ampicillin and gentamicin. Similarly, the Cu(I) complex exhibited superior activity against antifungal species relative to the standard drug Nystatin. The docking investigation utilized the target location of the topoisomerase enzyme (2xct) chain A.

引用

页数：15

共 92 条

[91] Bis-aroylhydrazone based on 2,2′-bis substituted diphenylamine for synthesis of new binuclear organotin (IV) complexes: Spectroscopic characterization, crystal structures, in vitro DNA-binding, plasmid DNA cleavage, PCR and cytotoxicity against MCF7 cell line [J].