Synthesis, antimicrobial activity and molecular docking study of novel α-(diphenylphosphoryl)- and α-(diphenylphosphorothioyl)cycloalkanone oximes,Chemistry & Biodiversity

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Synthesis, antimicrobial activity and molecular docking study of novel α-(diphenylphosphoryl)- and α-(diphenylphosphorothioyl)cycloalkanone oximes
Chemistry & Biodiversity ( IF 2.3 ) Pub Date : 2020-07-10 , DOI: 10.1002/cbdv.202000217
Nejib Jebli ₁ , Selma Hamimed ₂ , Kristof Van Hecke ₃ , Jean-François Cavalier ₄ , Soufiane Touil ₁

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A series of novel α-(diphenylphosphoryl)- and α-(diphenylphosphorothioyl)cycloalkanone oximes have been synthesized in search for novel bioactive molecules. Their structures were characterized by various spectroscopic methods including IR, NMR ( 1 H, 31 P, 13 C), mass spectrometry and single crystal X-ray diffraction. The newly synthesized phosphorus-containing oximes were screened for their in vitro antimicrobial activity against Gram-positive bacteria ( Staphylococcus aureus and Bacillus subtilis ), Gram-negative bacteria ( Escherichia coli and Salmonella typhimurium ) and fungal strains ( Candida albicans and Candida glabrata ). The biological assays showed that all the studied compounds ( 2a-f ) exhibited high antibacterial and antifungal activities at only 0.1-2.1 μg/mL. In silico molecular docking studies in FabH enzyme active site were performed in order to predict the possible interaction modes and binding energies of the drug candidates at the molecular level.

中文翻译：

新型α-(二苯基磷酰基)-和α-(二苯基磷硫酰基)环烷酮肟的合成、抗菌活性和分子对接研究

已经合成了一系列新型 α-(二苯基磷酰基)- 和 α-(二苯基磷硫酰基) 环烷酮肟以寻找新型生物活性分子。它们的结构通过各种光谱方法表征，包括 IR、NMR（ 1 H、 31 P、 13 C）、质谱和单晶 X 射线衍射。筛选了新合成的含磷肟对革兰氏阳性菌（金黄色葡萄球菌和枯草芽孢杆菌）、革兰氏阴性菌（大肠杆菌和鼠伤寒沙门氏菌）和真菌菌株（白色念珠菌和光滑念珠菌）的体外抗菌活性。生物测定表明，所有研究的化合物（2a-f）仅在 0.1-2.1 μg/mL 时表现出高抗菌和抗真菌活性。

更新日期：2020-07-10

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