"Resultant bond moment" as a newly developed electronic parameter in the design of antibacterial, antiprotozoal nitroimidazole derivatives.
Nineteen nitroimidazole derivatives have been reported to be effective antibacterial against one strain each of Bacteroides fragilis and Clostridium perfringens. The negative logarithms of minimum inhibitory concentrations (MICs) of these nitroimidazoles were fitted by a biostatistical relation involving a newly designed structural descriptor, the Resultant Bond Moment (RBM). RBM was developed on the basis of the chemical attribute of bond moments of heteroatoms. RBM reflects the electronic characteristic of the molecule. Apart from this, steric, electronic, and hydrophobic parameters were also utilised in the search of a best fit regression equation. On the basis of these equations new investigative nitroimidazole derivatives have been predicted concerning their antibacterial and antiprotozoal efficacy.
Ray
S K
SK
Biological Sciences Group, Birla Institute of Technology and Science, Pilani, Rajasthan, India.
Parimoo
P
P
Nandi
I
I
Venkidesh
R
R
Murthy
M V
MV
Srisunder
S
S
Anand
V
V
Rajesh
K
K
Rangaraj
N
N
D000900:Anti-Bacterial Agents / Q000737:chemistry* / Q000494:pharmacology*; D000981:Antiprotozoal Agents / Q000737:chemistry* / Q000494:pharmacology*; D001407:Bacillus / Q000187:drug effects; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003016:Clostridium perfringens / Q000187:drug effects; D015195:Drug Design; D008826:Microbial Sensitivity Tests; D009593:Nitroimidazoles / Q000737:chemistry* / Q000494:pharmacology*
D000900:Anti-Bacterial Agents; D000981:Antiprotozoal Agents; D009593:Nitroimidazoles