Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 57825-30-6, is researched, SMILESS is CCC1=CC=C(CBr)C=C1, Molecular C9H11BrJournal, Article, Research Support, Non-U.S. Gov’t, Bioorganic & Medicinal Chemistry Letters called Structure-based rational design, synthesis and antifungal activity of oxime-containing azole derivatives, Author is Xu, Yulan; Sheng, Chunquan; Wang, Wenya; Che, Xiaoying; Cao, Yongbing; Dong, Guoqiang; Wang, Shengzheng; Ji, Haitao; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian, the main research direction is triazolylpropanol piperidinone oxime ether containing derivative preparation antifungal activity; mol docking CACYP51 triazolylpropanol piperidinone oxime ether containing derivative.Application of 57825-30-6.
In an attempt to find novel azole antifungal agents with improved activity and broader spectrum, computer modeling was used to design a series of new azoles with piperidin-4-one O-substituted oxime side chains. Mol. docking studies revealed that they formed hydrophobic and hydrogen-bonding interactions with lanosterol 14α-demethylase of Candida albicans (CACYP51). In vitro antifungal assay indicates that most of the synthesized compounds showed good activity against tested fungal pathogens. In comparison with fluconazole, itraconazole and voriconazole, several compounds (such as I, R = H, 3-Cl, 2-F) show more potent antifungal activity and broader spectrum, suggesting that they are promising leads for the development of novel antifungal agents.
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Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider