抗菌剂
环丙沙星
DNA旋转酶
细菌
化学
加合物
取代基
立体化学
抗生素
药物发现
组合化学
对接(动物)
革兰氏阴性菌
微生物学
生物化学
生物
大肠杆菌
有机化学
医学
遗传学
基因
护理部
作者
Behnam Tahmasebi,Aida Iraji,Maedeh Sherafati,Ali Moazzam,Seyed Alireza Akhlagh,Mehdi Adib,Mohammad Mahdavi
标识
DOI:10.1080/07391102.2022.2130985
摘要
A new series of ciprofloxacin-derived Ugi adducts were rationally designed and synthesized. The synthesized molecules were explored for their potential antimicrobial activities against four pathogenic microorganisms. Among these derivatives, compound 7h with a 4-nitrophenyl substituent at R2 exhibited significant activity against two tested Gram-positive bacteria with a minimum inhibitory concentration value of 0.097 µg/mL while 7i bearing 4-chlorophenyl pendant demonstrated the best antimicrobial activities against Gram-negative bacteria. Furthermore, the analysis of the structure–activity relationships disclosed that types of substitutions differently affect the bacteria so the most potent derivative against Gram-negative infections was the least active one in Gram-positive microorganisms. Also, the molecular docking and molecular dynamic simulations were executed on 7i as the most potent Gram-negative anti-bacterial agent against ATP-binding sites of DNA gyrase B. Accordingly, our findings suggest that ciprofloxacin-based Ugi adducts are an interesting precursor for the design of potent antimicrobial agents.Communicated by Ramaswamy H. Sarma.
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