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-Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine 及其 Co(II) 和 Cu(II) 配合物作为抗菌剂：化学制备、体外抗菌评估、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，因为它们提供了广泛的应用。杂化合物的席夫碱化学由于金属与席夫碱配体的配位能力而备受关注。在目前的研究中，通过将 6-甲氧基吡啶-3-胺与吡咯-2-甲醛。此外，MPM 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解析。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，以了解它们最好的非键合相互作用。结果证实，席夫碱配体显示出相当高的结合亲和力，具有良好的氢键和对各种测试微生物物种的疏水相互作用。这些结果与所研究化合物的概念 DFT 全局反应性描述符及其生物学分数和 ADMET 计算参数的报告相辅相成。