Discovery of new antimalarial chemotypes through chemical methodology and library development

Proc Natl Acad Sci U S A. 2011 Apr 26;108(17):6775-80. doi: 10.1073/pnas.1017666108. Epub 2011 Apr 15.

Abstract

In an effort to expand the stereochemical and structural complexity of chemical libraries used in drug discovery, the Center for Chemical Methodology and Library Development at Boston University has established an infrastructure to translate methodologies accessing diverse chemotypes into arrayed libraries for biological evaluation. In a collaborative effort, the NIH Chemical Genomics Center determined IC(50)'s for Plasmodium falciparum viability for each of 2,070 members of the CMLD-BU compound collection using quantitative high-throughput screening across five parasite lines of distinct geographic origin. Three compound classes displaying either differential or comprehensive antimalarial activity across the lines were identified, and the nascent structure activity relationships (SAR) from this experiment used to initiate optimization of these chemotypes for further development.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, N.I.H., Intramural

MeSH terms

  • Antimalarials* / chemical synthesis
  • Antimalarials* / chemistry
  • Antimalarials* / pharmacology
  • Humans
  • Malaria, Falciparum / drug therapy*
  • Plasmodium falciparum / growth & development*
  • Structure-Activity Relationship

Substances

  • Antimalarials