Researchers are interested in Schiff bases and their metal complexes because they offer a wide range of applications. The chemistry of Schiff bases of heterocompounds has got a lot of attention because of the metal’s ability to coordinate with Schiff base ligands. In the current study, a new bidentate Schiff base ligand, N-((1H-pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine (MPM) has been synthesized by condensing 6-methoxypyridine-3-amine with pyrrole-2-carbaldehyde. Further, MPM is used to prepare Cu(II) and Co(II) metal complexes. Analytical and spectroscopic techniques are used for the structural elucidation of the synthesized compounds. Both MPM and its metal complexes were screened against Escherichia coli, Bacillus subtilis, Staphylococcus aureus and Klebsiella pneumoniae species for antimicrobial studies. Furthermore, these compounds were subjected to in silico studies against bacterial proteins to comprehend their best non-bonded interactions. The results confirmed that the Schiff base ligand show considerably higher binding affinity with good hydrogen bonding and hydrophobic interactions against various tested microbial species. These results were complemented with a report of the Conceptual DFT global reactivity descriptors of the studied compounds together with their biological scores and their ADMET computed parameters.

中文翻译：

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N-((1H-吡咯-2-基)亚甲基)-6-甲氧基吡啶-3-胺及其作为抗菌剂的 Co(II) 和 Cu(II) 配合物：化学制备、体外抗菌评价、计算机分析和计算和理论化学研究


研究人员对席夫碱及其金属配合物很感兴趣，因为它们具有广泛的应用。由于金属具有与席夫碱配体配位的能力，杂化合物席夫碱的化学性质受到了广泛关注。本研究通过6-甲氧基吡啶-3-胺与6-甲氧基吡啶-3-胺缩合合成了一种新型双齿席夫碱配体N-((1H-吡咯-2-基)亚甲基)-6-甲氧基吡啶-3-胺(MPM)。吡咯-2-甲醛。此外，MPM还用于制备Cu(II)和Co(II)金属配合物。分析和光谱技术用于合成化合物的结构阐明。 MPM 及其金属配合物均针对大肠杆菌、枯草芽孢杆菌、金黄色葡萄球菌和肺炎克雷伯菌进行了筛选，以进行抗菌研究。此外，对这些化合物进行了针对细菌蛋白质的计算机研究，以了解它们的最佳非键相互作用。结果证实，席夫碱配体对各种测试的微生物物种表现出相当高的结合亲和力以及良好的氢键和疏水相互作用。这些结果得到了所研究化合物的概念 DFT 全局反应性描述符报告及其生物学评分和 ADMET 计算参数的补充。