Synthesis of thiosemicarbazide-based zinc complexes and evaluation of their inhibition of bacterial biofilm formation via targeting extracellular proteins

IF 3.2 2区化学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Journal of Inorganic Biochemistry Pub Date : 2025-07-21 DOI:10.1016/j.jinorgbio.2025.113014

Hazrat Bilal , Cai-Xiang Zhang , Muhammad Iqbal Choudhary , Muhammad Raza Shah , Sukanya Dej-adisai , Yanghan Liu , Zhen-Feng Chen

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Abstract

Three new zinc(II) complexes with N-benzyl-2-((2-hydroxynaphthalen-1-yl)methylene) hydrazine-1-carbothioamide-methanol solvate (L), 1,10-phenanthroline (phen), and pyridine (py) as ligands, were synthesized and fully characterized. They are named as [Zn₂(L)₂Cl₂)].CH₃OH (1), [Zn(L)(phen)].CH₃OH (2), and [Zn₂(L)₂(py)₂] (3). Complex 1 and 3 are dinuclear structures. Complex 1 contains two L ligands; complex 3 also contains two L ligands in addition of two py as co-ligands, and complex 2 is mononuclear with one L and one phen as co-ligand. The in vitro antibacterial activities of complexes 1–3 were tested on five bacterial strains with minimum inhibitory concentrations (MICs) of 1.56 to 64 μg/mL. Complexes 1 and 2 exhibited significantly stronger antibacterial activity against Enterococcus faecalis (E. faecalis) and methicillin-resistant Staphylococcus aureus (MRSA) (S. aureus) than L, complex 3, and Vancomycin. The complexes 1 and 2 inhibited bacterial biofilm formation at concentrations from 0.5 to 10 μg/mL, higher than L, complex 3 and Vancomycin. Complexes 1 and 2 strongly interacted with extracellular proteins (ECPs) of bacterial biofilms. Furthermore, molecular docking (MD) studies have validated the interactions of L and complexes 1–3 with biofilm-associated proteins (Baps) and SARS-CoV-2 receptors, positioning these zinc(II) complexes as promising candidates for developing antibacterial and anti-biofilm agents.

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基于硫代氨基脲的锌配合物的合成及其通过靶向细胞外蛋白抑制细菌生物膜形成的评价

合成了以n-苄基-2-(（2-羟基萘-1-酰基）亚甲基肼-1-碳硫酰胺-甲醇溶剂(L)、1,10-菲罗啉（phen）和吡啶（py）为配体的新型锌（II）配合物，并对其进行了表征。它们被命名为[Zn2(L)2Cl2)]。CH3OH (1), [Zn(L)(phen)]。CH3OH(2)和[Zn2(L)2(py)2](3)。配合物1和3是双核结构。配合物1含有两个L配体；配合物3还含有两个L配体和两个py作为共配体，配合物2是一个L和一个phen作为共配体的单核配合物。研究了配合物1 ~ 3对5株最低抑菌浓度（mic）为1.56 ~ 64 μg/mL的细菌的体外抑菌活性。配合物1和2对粪肠球菌（E. faecalis）和耐甲氧西林金黄色葡萄球菌（MRSA）的抑菌活性明显强于L、配合物3和万古霉素。配合物1和2在0.5 ~ 10 μg/mL浓度范围内抑制细菌生物膜的形成，高于L、配合物3和万古霉素。复合物1和2与细菌生物膜的细胞外蛋白（ECPs）强烈相互作用。此外，分子对接（MD）研究证实了L和复合物1-3与生物膜相关蛋白（Baps）和SARS-CoV-2受体的相互作用，将这些锌（II）复合物定位为开发抗菌和抗生物膜剂的有希望的候选物。

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来源期刊

Journal of Inorganic Biochemistry 生物-生化与分子生物学

CiteScore

7.00

自引率

10.30%

发文量

336

审稿时长

41 days

期刊介绍： The Journal of Inorganic Biochemistry is an established international forum for research in all aspects of Biological Inorganic Chemistry. Original papers of a high scientific level are published in the form of Articles (full length papers), Short Communications, Focused Reviews and Bioinorganic Methods. Topics include: the chemistry, structure and function of metalloenzymes; the interaction of inorganic ions and molecules with proteins and nucleic acids; the synthesis and properties of coordination complexes of biological interest including both structural and functional model systems; the function of metal- containing systems in the regulation of gene expression; the role of metals in medicine; the application of spectroscopic methods to determine the structure of metallobiomolecules; the preparation and characterization of metal-based biomaterials; and related systems. The emphasis of the Journal is on the structure and mechanism of action of metallobiomolecules.