Pharmacophore-based predictive model generation for potent antimalarials targeting haem detoxification pathway

被引：11
作者：
Acharya, Badri Narayan [1 ]
Kaushik, Mahabir Parshad [1 ]
机构：
[1] Def Res & Dev Estab, Discovery Ctr, Gwalior 474002, India
来源：
MEDICINAL CHEMISTRY RESEARCH | 2007年 / 16卷 / 05期
关键词：
malaria; Plasmodium falciparum; haem detoxification; pharmacophore; predictive model;
D O I：
10.1007/s00044-007-9025-8
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
Pharmacophore hypotheses were developed for molecules having antimalarial activities targeting the haem detoxification pathway of the malaria parasite. A training set consisting of 23 compounds was selected to generate these hypotheses, and their activities were evaluated for haem polymerization inhibition and against chloroquine-sensitive (3D7) as well as chloroquine-resistant (K1) strains of p. falciparum. The models were cross-validated by Fischer's randomization test at a 95% confidence level. The model developed against chloroquine-resistant malaria parasites was found to yield the best predictions among the three models.
引用
收藏
页码：213 / 229
页数：17
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