Article
Characterization of dihydrofolate reductases from multiple strains of Plasmodium falciparum using mathematical descriptors of their inhibitors.
Chemistry & biodiversity - 1 Mar 2011
Basak Subhash C, Mills Denise, Hawkins Douglas M
Abstract excerpt
Two classes of graph-theoretic molecular descriptors, viz., topological indices (TIs) and atom pairs (APs), have been used to derive high-quality quantitative structure-activity relationships (QSARs) for inhibitors of dihydrofolate reductases (DHFRs) isolated from the wild and four mutant strains of Plasmodium falciparum. Of the three methods used for QSAR formulation, viz., principal-components regression (PCR),...
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