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

页码：213 / 229

页数：17

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