Sk. Ray et al., RESULTANT BOND MOMENT AS A NEWLY DEVELOPED ELECTRONIC PARAMETER IN THE DESIGN OF ANTIBACTERIAL, ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVES, Arzneimittel-Forschung, 48(3), 1998, pp. 286-290
Nineteen nitroimidazole derivatives have been reported to be effective
antibacterial against one strain each of Bacteroides fragilis and Clo
stridium perfringens. The negative logarithms of minimum inhibitory co
ncentrations (MICs) of these nitroimidazoles were fitted by a biostati
stical relation involving a newly designed structural descriptor, the
Resultant Bond Moment (RBM). RBM was developed on the basis of the che
mical attribute of bend moments of heteroatoms. RBM reflects the elect
ronic characteristic of the molecule. Apart from this, steric, electro
nic, and hydrophobic parameters were also utilised in the search of a
best fit regression equation. On the basis of these equations new inve
stigative nitroimidazole derivatives have been predicted concerning th
eir antibacterial and antiprotozoal efficacy.