Design, Synthesis, Biological Evaluation and Computational Study of Novel Imino‐4‐Aryloxymethyl‐2H‐chromen‐2‐one Derivatives as Potent Anti‐Microbial and Antiinflammatory Agents,ChemistrySelect

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Design, Synthesis, Biological Evaluation and Computational Study of Novel Imino‐4‐Aryloxymethyl‐2H‐chromen‐2‐one Derivatives as Potent Anti‐Microbial and Antiinflammatory Agents
ChemistrySelect ( IF 1.9 ) Pub Date : 2018-01-09 , DOI: 10.1002/slct.201702240
Soniya D. Naik ₁ , Kallappa M. Hosamani ₁ , Delicia A. Barretto ₂ , Shrinivas D. Joshi ₃

Affiliation

A simple and efficient methodology has been designed to synthesize a series of versatile and novel coumarin based scaffolds displaying several alkyl, halogen, and alkoxy groups from 4‐Bromomethylcoumarins and pre‐functionalized phenol. The title compounds have been evaluated for their in‐vitroanti‐microbial and anti‐inflammatory activity. Physiological properties like lipophilicity and IC₅₀ value have also been calculated. To support the in vitro results, computational experiments were carried out to analyze probable binding modes. The interactions between substituted coumarins and bovine protein showed promising activity with higher C‐score values.

中文翻译：

新型氨基-4-芳氧基甲基-2-H-铬n-2-酮衍生物作为有效抗微生物剂和抗炎剂的设计，合成，生物学评估和计算研究

设计了一种简单有效的方法来合成一系列通用且新颖的基于香豆素的支架，这些支架显示了来自4-溴甲基香豆素和预功能化苯酚的多个烷基，卤素和烷氧基。已对标题化合物的体外抗微生物和抗炎活性进行了评估。还已经计算了诸如亲脂性和IC ₅₀值的生理特性。为了支持体外结果，进行了计算实验以分析可能的结合模式。取代的香豆素与牛蛋白之间的相互作用显示出令人鼓舞的活性，具有更高的C分数。

更新日期：2018-01-09

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