Abstract The purpose of this work was to prepare Schiff base ligands containing quinoline moiety and using them for preparing Cu(ii) and Zn(ii) complexes. Four bidentate Schiff base ligands (SL1–SL4) with quinoline hydrazine scaffold and a series of mononuclear Cu(ii) and Zn(ii) complexes were successfully prepared and characterized. The in vitro antibacterial and antifungal potential experimentation revealed that the ligands exhibited moderate antibacterial activity against the Gram-positive bacterial types and were inactive against the Gram-negative bacteria and the fungus strains. The metal complexes showed some enhancement in the activity against the Gram-positive bacterial strains and were inactive against the Gram-negative bacteria and the fungus strains similar to the parent ligands. The complex [Cu(SL1)2] was the most toxic compound against both Gram-positive S. aureus and E. faecalis bacteria. The in silico physicochemical investigation revealed that the ligand SL4 showed highest in silico absorption (82.61%) and the two complexes [Cu(SL4)2] and [Zn(SL4)2] showed highest in silico absorption with 56.23% for both compounds. The in silico pharmacokinetics predictions showed that the ligands have high gastrointestinal (GI) absorption and the complexes showed low GI absorption. The ligands showed a good bioavailability score of 0.55 where the complexes showed moderate to poor bioavailability.

中文翻译：

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2-(quinolin-8-yloxy)acetohydrazide 的新席夫碱及其 Cu(ii) 和 Zn(ii) 金属配合物：它们的体外抗菌潜力和计算机理化和药代动力学特性

摘要 本工作的目的是制备含有喹啉部分的席夫碱配体，并将其用于制备 Cu(ii) 和 Zn(ii) 配合物。四个双齿席夫碱配体 (SL1-SL4) 与喹啉肼支架和一系列单核 Cu(ii) 和 Zn(ii) 配合物被成功制备和表征。体外抗菌和抗真菌潜力实验表明，配体对革兰氏阳性细菌类型表现出中等抗菌活性，对革兰氏阴性细菌和真菌菌株无活性。金属配合物对革兰氏阳性细菌菌株的活性有所增强，而对革兰氏阴性细菌和真菌菌株的活性与亲本配体相似。复合物 [Cu(SL1)2] 是对革兰氏阳性金黄色葡萄球菌和粪肠球菌的毒性最强的化合物。计算机理化研究表明，配体 SL4 的硅吸收率最高 (82.61%)，两种配合物 [Cu(SL4)2] 和 [Zn(SL4)2] 的硅吸收率最高，两种化合物均为 56.23%。计算机药代动力学预测表明，配体具有高胃肠道 (GI) 吸收，而复合物显示出低 GI 吸收。配体显示出良好的生物利用度评分 0.55，其中复合物显示出中度至差的生物利用度。61%) 和两种配合物 [Cu(SL4)2] 和 [Zn(SL4)2] 显示出最高的硅吸收，两种化合物均为 56.23%。计算机药代动力学预测表明，配体具有高胃肠道 (GI) 吸收，而复合物显示出低 GI 吸收。配体显示出良好的生物利用度评分 0.55，其中复合物显示出中度至差的生物利用度。61%) 和两种配合物 [Cu(SL4)2] 和 [Zn(SL4)2] 显示出最高的硅吸收，两种化合物均为 56.23%。计算机药代动力学预测表明，配体具有高胃肠道 (GI) 吸收，而复合物显示出低 GI 吸收。配体显示出良好的生物利用度评分 0.55，其中复合物显示出中度至差的生物利用度。