Structure-activity relationships of benzimidazole derivatives as antiparasitic agents: Dual activity-difference (DAD) maps Article

Pérez-Villanueva, J, Santos, R, Hernández-Campos, A et al. (2011). Structure-activity relationships of benzimidazole derivatives as antiparasitic agents: Dual activity-difference (DAD) maps . MEDCHEMCOMM, 2(1), 44-49. 10.1039/c0md00159g

cited authors

  • Pérez-Villanueva, J; Santos, R; Hernández-Campos, A; Giulianotti, MA; Castillo, R; Medina-Franco, JL

authors

abstract

  • Parasitic infections still remain a major health threat in developing countries. Herein we report a systematic characterization of the structure-activity relationships (SAR) of a comprehensive set of benzimidazole derivatives tested against Trichomonas vaginalis and Giardia intestinalis. The analysis was based on pairwise comparisons of the activity similarity and molecular similarity using different molecular representations. Overall, results encourage simultaneous lead optimization efforts for benzimidazole derivatives active against both protozoan. In order to explore the activity profile of the benzimidazoles against the two parasites, we developed the dual activity-difference (DAD) map. DAD map is a complementary approach to systematically characterize the SAR of compound data sets. © 2011 The Royal Society of Chemistry.

publication date

  • January 1, 2011

published in

Digital Object Identifier (DOI)

start page

  • 44

end page

  • 49

volume

  • 2

issue

  • 1