Title: Quantitative structure-activity-relationships for antimicrobial nitroheterocyclic drugs
Authors: Rozenski, Jef ×
Deranter, Cj
Verplanken, H #
Issue Date: Apr-1995
Publisher: Wiley-VCH
Series Title: Quantitative Structure-activity Relationships vol:14 issue:2 pages:134-141
Abstract: The antimicrobial activity of a series of nitro-heterocyclic drugs was determined and correlated with a number of physicochemical properties. The best correlation is found with the polarographic half-wave potential, while the partition coefficient and LUMO-values contribute poorly to the relationship. The value of the dipole moments can be used to discriminate between active 2-nitro and 5-nitroimidazoles and inactive 4-nitroimidazoles. Free-Wilson analysis emphasizes the need of structural parameters like the presence of the nitro group in position 2 or 5 or a methyl substituent on the imidazole ring. The activity is enhanced by a vinyl group in position 2 and is decreased by the presence of a phenyl substituent.
ISSN: 0931-8771
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Medicinal Chemistry (Rega Institute)
× corresponding author
# (joint) last author

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