Institute of Bioorganic & Medicinal Chemistry, Key Laboratory of Applied Chemistry of Chongqing Municipality, School of Chemistry and Chemical Engineering, Southwest University, Chongqing, 400715, P.R. China.
ChemMedChem. 2018 May 23;13(10):1004-1017. doi: 10.1002/cmdc.201700739. Epub 2018 Apr 16.
A series of benzimidazole-quinolone hybrids as new potential antimicrobial agents were designed and synthesized. Bioactive assays indicated that some of the prepared compounds exhibited potent antibacterial and antifungal activities. Notably, 2-fluorobenzyl derivative 5 b (ethyl 7-chloro-6-fluoro-1-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-4-oxo-quinoline-3-carboxylate) showed remarkable antimicrobial activity against resistant Pseudomonas aeruginosa and Candida tropicalis isolated from infected patients. Active molecule 5 b could not only rapidly kill the tested strains, but also exhibit low toxicity toward Hep-2 cells. It was more difficult to trigger the development of bacterial resistance of P. aeruginosa against 5 b than that against norfloxacin. Molecular docking demonstrated that 5 b could effectively bind with topoisomerase IV-DNA complexes, and quantum chemical studies theoretically elucidated the good antimicrobial activity of compound 5 b. Preliminary experimental reaction mechanism exploration suggested that derivative 5 b could not intercalate into DNA isolated from drug-resistant P. aeruginosa, but was able to cleave DNA effectively, which might further block DNA replication to exert powerful bioactivities. In addition, compound 5 b is a promising antibacterial agent with membrane disruption abilities.
一系列苯并咪唑-喹诺酮杂合体被设计和合成,作为新的潜在抗菌剂。生物活性测定表明,一些制备的化合物表现出很强的抗菌和抗真菌活性。值得注意的是,2-氟苄基衍生物 5b(乙基 7-氯-6-氟-1-[[1-(2-氟苯基)甲基]苯并咪唑-2-基]甲基]-4-氧代喹啉-3-羧酸酯)对分离自感染患者的耐药铜绿假单胞菌和热带假丝酵母表现出显著的抗菌活性。活性分子 5b 不仅能迅速杀死测试菌株,而且对 Hep-2 细胞的毒性也较低。与诺氟沙星相比,铜绿假单胞菌对 5b 的耐药性发展更难。分子对接表明,5b 能有效地与拓扑异构酶 IV-DNA 复合物结合,量子化学研究从理论上阐明了化合物 5b 的良好抗菌活性。初步的实验反应机制探索表明,衍生物 5b 不能插入到耐药铜绿假单胞菌分离的 DNA 中,但能有效地切割 DNA,这可能进一步阻断 DNA 复制,发挥强大的生物活性。此外,化合物 5b 是一种具有膜破坏能力的有前途的抗菌剂。