Four new heteroleptic silver(I) complexes with the general formula [Ag(L1-4)(nap)] (1-4), where L1-4 = 2-(1-(4-substitutedphenyl)ethylidene)hydrazinecarbothioamide and nap = naproxen, have been synthesized and characterized. The geometric parameters determined from density functional theory and UV-Vis studies indicate distorted tetrahedral geometry around silver(I) ion. Fourier transform infrared (FT IR) spectra evidenced asymmetric bidentate coordination mode of carboxyl oxygen atoms of naproxen with silver(I) ion. The complexes are stable for 72 h and biocompatibility was analysed towards normal human dermal fibroblast cells, which showed non-toxic nature up to 100 ng/ml. In vitro anti-proliferative activity of the complexes by MTT assay was tested against three human cancerous cell lines and one non-tumorigenic human breast epithelial cell line (MCF-10a) in which the complex 4 exhibited enhanced activity. The morphological changes observed by acridine orange/ethidium bromide and Hoechst 33258 staining method reveal apoptosis-inducing ability of the complexes. The molecular docking studies suggest hydrogen bonding, hydrophobic and π-pair interactions with the active site of epidermal growth factor receptor, vascular endothelial growth factor receptor 2 and lipoxygenase receptors.

中文翻译：

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硫半脲和萘普生的银（I）金属药物：与EGFR，VEGFR2和LOX受体的生物相容性，体外抗增殖活性和计算机相互作用研究。

四个新的通式为[Ag（L1-4）（nap）]（1-4）的杂银（I）配合物，其中L1-4 = 2-（1-（4-（取代基苯基）亚乙基）肼基]碳硫代酰胺，nap =萘普生已合成并鉴定。根据密度泛函理论和UV-Vis研究确定的几何参数表明，银（I）离子周围的四面体几何形状失真。傅里叶变换红外光谱（FT IR）证明了萘普生的羧基氧原子与银离子的不对称双齿配位模式。该复合物可稳定72小时，并针对正常的人类真皮成纤维细胞进行了生物相容性分析，显示出最高100 ng / ml的无毒性质。通过MTT测定法测试复合物的体外抗增殖活性，针对其中三种复合物4表现出增强的活性的三种人癌细胞系和一种非致瘤性人乳腺上皮细胞系（MCF-10a）。a啶橙/溴化乙锭和Hoechst 33258染色法观察到的形态变化揭示了该复合物的凋亡诱导能力。分子对接研究表明与表皮生长因子受体，血管内皮生长因子受体2和脂氧合酶受体的活性位点存在氢键，疏水和π对相互作用。