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新型甲硝唑和甲硝唑苯甲酸铜配合物的合成、表征、生物及计算研究。

Novel copper complexes of metronidazole and metronidazole benzoate: synthesis, characterization, biological and computational studies.

机构信息

Department of Chemistry, School of Natural Sciences, National University of Sciences and Technology (NUST), Islamabad, Pakistan.

Center for Interdisciplinary Research in Basic Sciences (CIRBS), International Islamic University, Islamabad, Pakistan.

出版信息

J Biomol Struct Dyn. 2022 Aug;40(12):5446-5461. doi: 10.1080/07391102.2020.1871072. Epub 2021 Jan 11.

DOI:10.1080/07391102.2020.1871072
PMID:33427586
Abstract

Synthesis and characterization of novel copper complexes of metronidazole benzoate (MTZ Benz), metronidazole (MTZ) in the presence of another ligand; dichloroacetic acid (DCA) were compared and reported in the present work. Different bacterial and fungus strains were ascertained to evaluate the biological potency of the synthesized complexes, that is, and yeast strain Agar diffusion method was employed to investigate antibacterial activities of the synthesized metal complexes and the tested parent ligands. α-Amylase and α-glucosidase inhibition studies of the synthesized complexes were also carried out. The antibacterial potential and α-amylase and α-glucosidase inhibition studies of complexes were further investigated by molecular docking studies, which supported the experimental results. Significant α-amylase and α-glucosidase inhibition activities were shown by the synthesized complexes. S-1 and S-5 were found to be most inhibitors of α-amylase and α-glucosidase having IC 42.50, 44.80 and 4.52 µg/mL, 4.80 µg/mL, respectively. The newly synthesized copper complexes showed overall better biological activities compared to each parent ligands used.Communicated by Ramaswamy H. Sarma.

摘要

在本工作中比较并报道了新型铜配合物的合成与表征,该配合物以苯甲酸甲硝唑(MTZ Benz)和甲硝唑(MTZ)为配体,另一种配体为二氯乙酸(DCA)。不同的细菌和真菌菌株被确定用于评估合成配合物的生物效力,即大肠杆菌和酿酒酵母。琼脂扩散法用于研究合成金属配合物和测试的母体配体的抗菌活性。还进行了合成配合物的α-淀粉酶和α-葡萄糖苷酶抑制研究。通过分子对接研究进一步研究了配合物的抗菌潜力和α-淀粉酶和α-葡萄糖苷酶抑制作用,实验结果得到了支持。合成配合物表现出显著的α-淀粉酶和α-葡萄糖苷酶抑制活性。S-1 和 S-5 被发现是α-淀粉酶和α-葡萄糖苷酶的最有效抑制剂,其 IC 42.50、44.80 和 4.52μg/mL、4.80μg/mL。与使用的每个母体配体相比,新合成的铜配合物显示出总体更好的生物活性。由 Ramaswamy H. Sarma 传达。

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