Complexes are currently synthesized from plant origin because of their therapeutic effect against certain diseases with tox-icity. Hence, in this work, four new transition metal(II) mixed ligand complexes have been synthesized using a curcumin Schiff base (primary ligand) and lawsone (as co-ligand). The geometry of these complexes was explored by elemental analyses, molar conductance, thermal analysis, magnetic moment values, IR, NMR, Mass, electronic and EPR spectral studies. Electronic absorption titrations, viscosity measurements and molecular docking studies reveal that all the metal complexes interact with the CT DNA by groove binding. Among all the complexes, the copper(II) complex (complex 1) exhibits a higher K_b value (3.5 x 10~-4 M) which reveals that it has a strong binding efficiency toward the CT DNA. The complexes also possess strong DNA cleavage efficiency. Cytotoxicity investigations on Artemia salina show that all the complexes possess higher cytotoxic effect than the ligand. Moreover, all the metal complexes have better antimicrobial efficacy than the ligand. Swiss ADME, PASS and pkCSM online softwares are helpful to predict the pharmacokinetic and biological actions of the curcumin Schiff base. Theoretical results obtained from the in silico study are experimentally corroborated by in vivo anti-inflammatory screening study. All the above studies demonstrate that the copper complex possesses biological activity similar to that of the drug like molecules.
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机译:复合物目前是从植物来源合成的,因为它们对某些具有毒素的疾病具有治疗作用。因此,在这项工作中,使用姜黄素希夫碱(初级配体)和劳松(作为共配体)合成了四种新的过渡金属(II)混合配体配合物。通过元素分析、摩尔电导、热分析、磁矩值、红外、核磁共振、质量、电子和EPR光谱研究探索了这些配合物的几何形状。电子吸收滴定、粘度测量和分子对接研究表明,所有金属配合物都通过沟结合与CT DNA相互作用。在所有复合物中,铜(II)复合物(复合物1)表现出较高的K_b值(3.5 x 10~-4 M),表明其与CT DNA具有较强的结合效率。该复合物还具有很强的DNA切割效率。卤虫盐的细胞毒性研究表明,所有复合物都具有比配体更高的细胞毒性作用。此外,所有金属配合物都比配体具有更好的抗菌功效。瑞士ADME、PASS和pkCSM在线软件有助于预测姜黄素希夫碱的药代动力学和生物学作用。从计算机研究中获得的理论结果通过体内抗炎筛选研究进行了实验证实。上述所有研究表明,铜络合物具有与药物类分子相似的生物活性。
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