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Synthesis, spectroscopic and molecular docking studies on new schiff bases, nucleosides and α-aminophosphonate derivatives as antibacterial agents
Saudi Journal of Biological Sciences ( IF 4.4 ) Pub Date : 2020-10-16 , DOI: 10.1016/j.sjbs.2020.09.061
Saad H Alotaibi 1 , Hamada H Amer 1, 2
Affiliation  

New Nucleosides, analogues derived from 1, 3, 4-oxadiazole, arylidene analogues and α-aminophosphonate were prepared. Infrared (IR), elemental analysis and 1HNMR elucidated nucleosides; arylidines and phosphonate derivatives. The prepared derivatives were purified and allowed to test against bacteria strains. Phosphonate derivative 12a showed the higher antibacterial against E. coli with inhibition zone 35 mm, P. aeruginosa with inhibition zone 30 and S. aureus with inhibition zone 22 while compounds 4, 6d, 9a, 9c and 12c showed moderate to weak activity against these bacteria species with inhibition zones ranged from 12 mm to 24 mm. The molecular docking studies was applied on compound 12a, which showed the binding at the active DNA Gyrase.



中文翻译:

新型席夫碱、核苷和α-氨基膦酸酯衍生物作为抗菌剂的合成、光谱和分子对接研究

制备了新的核苷、衍生自1、3、4-恶二唑的类似物、亚芳基类似物和α-氨基膦酸盐。红外 (IR)、元素分析和1 HNMR 阐明的核苷;芳烷基和膦酸酯衍生物。将制备的衍生物纯化并允许针对细菌菌株进行测试。膦酸盐衍生物12a对抑菌圈 35 mm 的大肠杆菌、抑菌圈 30 的铜绿假单胞菌和抑菌22 的金黄色葡萄球菌具有较高的抑菌性,而化合物4、6d9a9c12c对这些细菌种类显示出中等至弱的活性,抑制区范围为 12 毫米至 24 毫米。分子对接研究应用于化合物12a,显示在活性 DNA Gyrase 处的结合。

更新日期:2020-12-01
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