• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>International Journal of Biophysics >Synthesis, X-Ray Structure and Molecular Docking Analysis of Two Novel 1,2,4,5-Tetrasubstituted Imidazole Derivatives
【24h】

Synthesis, X-Ray Structure and Molecular Docking Analysis of Two Novel 1,2,4,5-Tetrasubstituted Imidazole Derivatives

机译：两种新型1,2,4,5-四取代的咪唑衍生物的合成，X射线结构和分子对接分析

获取原文
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Imidazole derivatives I [1-(3,5-Difluoro-4-methylphenyl)-2-(4-fluorophenyl)-4,5-diphenyl-1H -imidazole and II 2-(4-fluorophenyl)-4,5-diphenyl-1-(4-trifluoro)-phenyl-1H-imidazole] have been synthesized by using multicomponent reaction(MCR). The compounds (I & II ) are crystallized in the monoclinic space group I2/a and in triclinic space group P-1 with unit cell parameters a = 22.1693(7), b= 8.1636(6), c=25.7250(19) ?, β = 112.526(9)° and a = 9.2427(6), b = 13.4381(9), c =19.7520(4) ?, α= 90.464(5)°, β = 99.530(5)°, γ=106.210(6)? respectively. The complexes have been characterized by single crystal X-ray crystallographic analysis which revealed the asymmetric unit of the compound II contains two crystallographically independent molecules with almost similar geometries. The crystal structures were solved by Direct Methods and refined by Full Matrix least squares procedure. The C-H …F [inter-molecular and intra-molecular] interactions plays an important role in stabilizing the crystal packing. Molecular docking studies were used to identify the inhibitory activity against fungal protein cyctochrome P450 14 α demethylase enzyme.
机译：咪唑衍生物I [1-（3,5-二氟-4-甲基苯基）-2-（4-氟苯基）-4,5-二苯基-1 H-咪唑和II 2-（通过多组分反应（MCR）合成了4-氟苯基）-4,5-二苯基-1-（4-三氟）-苯基-1H-咪唑]。化合物（ I和 II）在单斜晶空间群 2 / a 和三斜晶空间群 P-1 中结晶，其晶胞参数a = 22.1693 （7），b = 8.1636（6），c = 25.7250（19）α，β= 112.526（9）°和a = 9.2427（6），b = 13.4381（9），c = 19.7520（4）α，α = 90.464（5）°，β= 99.530（5）°，γ= 106.210（6）？分别。该配合物已通过单晶X射线晶体学分析表征，该分析表明化合物II的不对称单元包含两个具有几乎相似几何形状的晶体学独立分子。通过直接方法解析晶体结构，并通过全矩阵最小二乘程序进行精制。 C-H…F [分子间和分子内]相互作用在稳定晶体堆积中起重要作用。分子对接研究用于鉴定对真菌蛋白细胞色素P450 14α脱甲基酶的抑制活性。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号