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Synthesis antibacterial properties and bioinformatics computational analyses of novel 8-hydroxyquinoline derivatives

机译:新型8-羟基喹啉衍生物的合成抗菌性能和生物信息学计算分析

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摘要

New heterocyclic derivatives of 8-hydroxyquinoline were prepared and screened as antimicrobial agents. Chemical structures were elucidated and confirmed using different spectroscopic methods such as elemental analysis data, Infrared, Nuclear Magnetic Resonance Spectroscopy. In order to explore their potential biological activity, the “in vitro” antibacterial activity was investigated against [E. coli (ATCC35218), S. aureus (ATCC29213), V. parahaemolyticus (ATCC17802), and P. aeruginosa (ATCC27853)]. The studied compounds exhibited a remarkable antibacterial activity superior to the standard antibiotic (Penicillin G). These new heterocyclic derivatives of 8-hydroxyquinoline, which proved to be potentially effective, can be used as alternative chemical antimicrobial agents applications. It was very interesting to observe that POM (Petra/Osiris/Molinspiration) bioinformatic analyses of the 8-hydroxyquinoline derivative (>5) exhibited more important antibacterial activity (MIC = 10−6 mg/mL against V.p and S.a bacteria) and good drug score (DS = 0.71) when compared with Penicillin (DS = 0.33; MIC = 10−3 mg/mL).
机译:制备了8-羟基喹啉的新杂环衍生物,并筛选了其作为抗菌剂。使用不同的光谱方法,例如元素分析数据,红外,核磁共振光谱,阐明并确认了化学结构。为了探索其潜在的生物学活性,研究了针对[E.大肠杆菌(ATCC35218),金黄色葡萄球菌(ATCC29213),副溶血性弧菌(ATCC17802)和铜绿假单胞菌(ATCC27853)]。所研究的化合物显示出显着的抗菌活性,优于标准抗生素(青霉素G)。这些新的8-羟基喹啉杂环衍生物被证明是潜在有效的,可用作替代化学抗菌剂。观察到有趣的是,对8-羟基喹啉衍生物(> 5 )的POM(Petra / Osiris / Molinspiration)生物信息学分析显示出更重要的抗菌活性(MIC = 10 −6 mg / mL)和良好的药物评分(DS = 0.71)(DS = 0.33; MIC = 10 -3 mg / mL)。

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