首页> 外文期刊>Mini reviews in medicinal chemistry >Three-dimensional Quantitative Structure-activity Relationship (3D-QSAR) and Molecular Docking Study of 2-((pyridin-3-yloxy)methyl) Piperazines as alpha 7 Nicotinic Acetylcholine Receptor Modulators for the Treatment of Inflammatory Disorders
【24h】

Three-dimensional Quantitative Structure-activity Relationship (3D-QSAR) and Molecular Docking Study of 2-((pyridin-3-yloxy)methyl) Piperazines as alpha 7 Nicotinic Acetylcholine Receptor Modulators for the Treatment of Inflammatory Disorders

机译:三维定量结构 - 活性关系(3D-QSAR)和2 - ((吡啶-3-基氧基)甲基)哌嗪作为α7烟碱乙酰胆碱受体调节剂的治疗炎性疾病的分子对接研究

获取原文
获取原文并翻译 | 示例
获取外文期刊封面目录资料

摘要

Background & Objective: Comparative molecular field analysis (CoMFA) of 27 analogues of 2-((pyridin-3-yloxy)methyl)piperazine derivatives was carried out using software Tripos SYBYL X. Optimal r(2) (0.854) and q(2) (0.541) values were obtained for the developed 3D-QSAR model. The contour plots obtained from CoMFA analysis have shown 13.84% steric contribution and 66.14% electrostatic contribution towards an anti-inflammatory activity.
机译:背景与目的:使用软件Tripos Sybyl X.最佳R(2)(0.854)和Q(2)(2 )(0.541)为发展3D-QSAR模型获得的值。 从COMFA分析获得的轮廓图显示了13.84%的空间贡献和抗炎活动的静电贡献66.14%。

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