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Identification of a diverse synthetic abietane diterpenoid library and insight into the structure-activity relationships for antibacterial activity
Bioorganic & Medicinal Chemistry Letters ( IF 2.7 ) Pub Date : 2017-11-09 , DOI: 10.1016/j.bmcl.2017.11.014
Wei Hou , Guanjun Zhang , Zhi Luo , Di Li , Haoqiang Ruan , Benfang Helen Ruan , Lin Su , Hongtao Xu

A diverse natural product-like (NPL) synthetic abietane diterpenoid library containing 86 compounds were obtained and the SARs were studied based on their antibacterial potential. Further in vitro cytotoxic and in silico drug-like properties evaluation showed that the potent antibacterial compound 84 had good drug-like properties and displayed low cytotoxicity toward noncancerous mammalian cells, indicating the study of AA and DHAA might be a good starting point for the search of novel antimicrobial molecules. Future work should be focused on the optimization of their potency and selectivity.



中文翻译:

鉴定出多种合成的枞树碱二萜类化合物文库,并深入了解抗菌活性的构效关系

获得了包含86种化合物的多样化的类似天然产物(NPL)的合成枞树碱二萜类化合物文库,并根据其抗菌潜力对SAR进行了研究。进一步的体外细胞毒性和计算机模拟药物特性评估表明,强效抗菌化合物84具有良好的药物样特性,并且对非癌性哺乳动物细胞显示出低细胞毒性,这表明对AA和DHAA的研究可能是寻找该化合物的良好起点。新的抗菌分子。未来的工作应集中在优化其效价和选择性上。

更新日期:2017-11-09
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