Six different Co(II) and Ni(II) complexes of a heterocyclic tridentate 2-acetyl-5-methylfuranthiosemicarbazone (AMFT) schiff’s base ligand were reported. Metal complexes were synthesized via conventional condensation and refluxing technique and characterized by different analytical techniques i.e., elemental analysis, molar conductance, magnetic moments and spectral i.e., IR, UV–Vis, EPR techniques. AMFT coordinated with the metal ion through three different heteroatoms i.e., oxygen, nitrogen and sulphur. Octahedral geometry was suggested by the experimental studies and also supported by theoretical studies. Chemical hardness and global softness value suggested high chemical reactivity of Co(II) complex. The charge transfer in the complexes were studied by MEP analysis. Antibacterial and antifungal activities of all the complexes were evaluated. The complexes showed better inhibition action than the parent ligand. Molecular docking was also performed to check the inhibition at atomic level and the result validated the experimental result. Ni(II) complexes showed better inhibition in comparison with Co(II) complexes.

Graphical abstract

中文翻译：

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杂环配体的 Co(II) 和 Ni(II) 配合物：合成、表征、对接和生物活性

报道了六种不同的 Co(II) 和 Ni(II) 杂环三齿 2-乙酰基-5-甲基呋喃氨基硫脲 (AMFT) 席夫碱配体配合物。金属配合物是通过传统的冷凝和回流技术合成的，并通过不同的分析技术（即元素分析、摩尔电导、磁矩和光谱，即 IR、UV-Vis、EPR 技术）进行表征。AMFT通过三个不同的杂原子即氧、氮和硫与金属离子配位。八面体几何由实验研究提出，也得到理论研究的支持。化学硬度和整体柔软度值表明 Co(II) 配合物具有高化学反应性。通过 MEP 分析研究了配合物中的电荷转移。评估了所有复合物的抗菌和抗真菌活性。复合物显示出比母配体更好的抑制作用。还进行了分子对接以检查原子水平的抑制作用，结果验证了实验结果。与 Co(II) 配合物相比，Ni(II) 配合物表现出更好的抑制作用。

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