• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

Application of molecular topology to the prediction of the antimalarial activity of a group of uracil-based acyclic and deoxyuridine compounds.

作者信息

García-Domenech Ramón, López-Peña Wanda, Sanchez-Perdomo Yessenia, Sanders José R, Sierra-Araujo Mercedes M, Zapata Claudy, Gálvez Jorge

机构信息

Department Química Física, Facultad de Farmacia, Universitat de Valencia, Valencia, Spain.

出版信息

Int J Pharm. 2008 Nov 3;363(1-2):78-84. doi: 10.1016/j.ijpharm.2008.07.003. Epub 2008 Jul 15.

DOI:10.1016/j.ijpharm.2008.07.003
PMID:18675892
Abstract

A topological-mathematical model has been arranged to search for new derivatives of deoxyuridine and related compounds acting as antimalarials against Plasmodium falciparum. By using linear discriminant and multilinear regression analysis a model with two functions was capable to predict adequately the IC(50) for each compound of the training and test series. After carrying out a virtual screening based upon such a model, new structures potentially active against P. falciparum are proposed.

摘要

相似文献

1
Application of molecular topology to the prediction of the antimalarial activity of a group of uracil-based acyclic and deoxyuridine compounds.
Int J Pharm. 2008 Nov 3;363(1-2):78-84. doi: 10.1016/j.ijpharm.2008.07.003. Epub 2008 Jul 15.
2
Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.基于配体的虚拟筛选以及使用非随机和随机全原子型及原子类型二次映射的新型抗疟化合物的计算机辅助设计。
J Chem Inf Model. 2005 Jul-Aug;45(4):1082-100. doi: 10.1021/ci050085t.
3
Identification of new antimalarial drugs by linear discriminant analysis and topological virtual screening.通过线性判别分析和拓扑虚拟筛选鉴定新型抗疟药物
J Antimicrob Chemother. 2006 Mar;57(3):489-97. doi: 10.1093/jac/dki470. Epub 2006 Jan 13.
4
Acyclic nucleoside analogues as inhibitors of Plasmodium falciparum dUTPase.无环核苷类似物作为恶性疟原虫dUTPase的抑制剂
J Med Chem. 2006 Jul 13;49(14):4183-95. doi: 10.1021/jm060126s.
5
Antimalarial activity: a QSAR modeling using CODESSA PRO software.抗疟活性：使用CODESSA PRO软件进行的定量构效关系建模
Bioorg Med Chem. 2006 Apr 1;14(7):2333-57. doi: 10.1016/j.bmc.2005.11.015. Epub 2006 Jan 19.
6
β-Branched acyclic nucleoside analogues as inhibitors of Plasmodium falciparum dUTPase.β-支链无环核苷类似物作为恶性疟原虫 dUTP 酶的抑制剂。
Bioorg Med Chem. 2011 Apr 1;19(7):2378-91. doi: 10.1016/j.bmc.2011.02.012. Epub 2011 Feb 17.
7
Unified QSAR approach to antimicrobials. Part 3: first multi-tasking QSAR model for input-coded prediction, structural back-projection, and complex networks clustering of antiprotozoal compounds.抗菌剂的统一定量构效关系方法。第3部分：用于抗原生动物化合物的输入编码预测、结构反向投影和复杂网络聚类的首个多任务定量构效关系模型。
Bioorg Med Chem. 2008 Jun 1;16(11):5871-80. doi: 10.1016/j.bmc.2008.04.068. Epub 2008 Apr 29.
8
In silico screening against wild-type and mutant Plasmodium falciparum dihydrofolate reductase.针对野生型和突变型恶性疟原虫二氢叶酸还原酶的计算机筛选。
J Mol Graph Model. 2008 Apr;26(7):1145-52. doi: 10.1016/j.jmgm.2007.10.006. Epub 2007 Oct 18.
9
3D QSAR investigations on antimalarial naphthylisoquinoline alkaloids by comparative molecular similarity indices analysis (CoMSIA), based on different alignment approaches.基于不同比对方法，通过比较分子相似性指数分析（CoMSIA）对抗疟萘基异喹啉生物碱进行的3D QSAR研究。
J Chem Inf Comput Sci. 2003 Jan-Feb;43(1):304-16. doi: 10.1021/ci025570s.
10
Antimalarial activity of thioacridone compounds related to the acronycine alkaloid.与山油柑碱相关的硫代吖啶酮化合物的抗疟活性。
Bioorg Med Chem. 2005 Mar 1;13(5):1653-9. doi: 10.1016/j.bmc.2004.12.009.

引用本文的文献

1
Molecular Topology for the Discovery of New Broad-Spectrum Antibacterial Drugs.分子拓扑学在新型广谱抗菌药物发现中的应用。
Biomolecules. 2020 Sep 19;10(9):1343. doi: 10.3390/biom10091343.
2
Predicting antiprotozoal activity of benzyl phenyl ether diamine derivatives through QSAR multi-target and molecular topology.通过定量构效关系多靶点和分子拓扑学预测苄基苯基醚二胺衍生物的抗原生动物活性。
Mol Divers. 2015 May;19(2):357-66. doi: 10.1007/s11030-015-9575-5. Epub 2015 Mar 10.