【摘要】 在运用比较分子力场分析法 (CoMFA)对 1 2 2个氮唑类抗真菌化合物进行三维定量关系(3D -QSAR)研究的基础上设计合成了 4个 1 (1H 1 ,2 ,4 三唑 1 基 ) 2 (2 ,4 二氟苯基 ) 3 (3 取代 1H 吲哚 1 基 ) 2 丙醇化合物和 4个 1 (1H 1 ,2 ,4 三唑 1 基 ) 2 (2 ,4 二氟苯基 ) 3 (3 取代苯基 4 (1H) 取代喹啉酮 1 基 ) 2 丙醇化合物。所有目标化合物均未见文献报道 ,结构经1H NMR、IR和MS确证。其体外抑菌实验正在进行中更多还原

【Abstract】 In order to seek a safer drug with greater efficacy against systemic fungal infections,the 3D quantitative structure activity relationships (3D QSAR) of 122 reported antifungal azoles were studied using a technique of comparative molecule field analysis (CoMFA).These selected compounds belonged to all the different structural classes and were representative.The results of CoMFA model revealed that a bulky substituent or a substituent with high density of negative charge connected with the C 3 position of 2 phenyl triazole alcohol antifungal agents caused a potency enhancing effect against fungi.Thus,because of their antifungal activities,big molecules and high density of negative charge,some indole and quinolinone derivatives were designed and synthesized and then were conjugated to phenyl triazolylpropanol moiey at the C 3 position to get two new structure types of triazolylpropanol derivatives Ⅰa～Ⅰd and Ⅱa～Ⅱd.All the objective compounds were firstly reported and confirmed by 1H NMR,IR and MS.The pharmacological tests of them are being in process.更多还原