Complexes are currently synthesized from plant origin because of their therapeutic effect against certain diseases with toxicity. 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 Kb value (3.5 × 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. Research Highlights Synthesis and characterization of four novel transition mixed ligand complexes using plant moieties Promising in vivo anti-inflammatory agents and in vitro DNA metallonucleases Cytotoxicity investigation on Artemia salina Higher cytotoxic effect for the complexes than the ligand Identification of copper(II) complex as lead like molecule among all.

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来自姜黄素席夫碱和劳松的混合配体金属配合物的合成、表征、ADMET、体外和体内研究

复合物目前是从植物来源合成的，因为它们对某些具有毒性的疾病具有治疗作用。因此，在这项工作中，使用姜黄素席夫碱（主要配体）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、IR、NMR、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凹槽结合与 CT DNA 相互作用。在所有的配合物中，铜（II）配合物（配合物 1）表现出较高的 Kb 值（3.5 × 10-4 M），表明它对 CT DNA 具有很强的结合效率。该复合物还具有很强的 DNA 切割效率。对卤虫的细胞毒性研究表明，所有配合物均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。Swiss 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得到了体内抗炎筛选研究的实验证实。上述所有研究表明，铜配合物具有与类药物分子相似的生物活性。