Abstract

The structure of urea has received special attention due to its biological activity. A new and efficient one-pot three-component reaction for the synthesis of bis-urea compounds from a variety of substituted diamino derivatives and isocyanate derivatives at room temperature with suitable yield is reported. Seven novel bis-urea derivatives were designed, synthesized, isolated, purified, and characterized (3a–g) with a variety of aromatic and aliphatic linkers. All compounds were evaluated for their cytotoxic and antibacterial properties. Most of the synthesized compounds exhibited reasonable activity compared to the positive control group.

Graphic abstract

Development of a novel one-pot three-component reaction (3-CR) for the preparation of bis-urea scaffolds based on in silico studies was done. Evaluations of cytotoxic and antibacterial activities of all compounds were done. Most of the compounds exhibited good activities.

中文翻译：

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新型双脲类似物的设计，计算机模拟，一锅合成和生物学评估

摘要

尿素的结构由于其生物活性而受到特别关注。报道了一种在室温下以合适的收率从各种取代的二氨基衍生物和异氰酸酯衍生物合成双脲化合物的新型高效一锅三组分反应。设计，合成，分离，纯化和表征了七种新颖的双脲衍生物（3a – g），具有多种芳香族和脂肪族连接基。评价所有化合物的细胞毒性和抗菌性能。与阳性对照组相比，大多数合成的化合物表现出合理的活性。

图形摘要

基于计算机研究，开发了用于制备双脲支架的新型一锅三组分反应（3-CR）。对所有化合物的细胞毒性和抗菌活性进行了评估。大多数化合物表现出良好的活性。