QSAR analysis of a set of benzimidazole derivatives based on their tuberculostatic activities.
A set of benzimidazole derivatives previously tested for their tuberculostatic activities was analyzed using the quantitative structure activity relationship (QSAR) method. The activity contributions for structural and substituent effects were determined from the correlation equations which were derived using stepwise regression technique. The resulting QSAR showed that the activity contributions of benzimidazoles depend on the size of the substituents at R2, the field effect of the substituents at R1 and structural parameter IY which indicates the presence of oxygen between the benzimidazole and benzyl or phenyl groups.
Geban
O
O
Department of Science Education, Middle East Technical University, Ankara, Turkey.
Ertepinar
H
H
Ozden
S
S
D000995:Antitubercular Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D001562:Benzimidazoles / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D006801:Humans; D008826:Microbial Sensitivity Tests; D009169:Mycobacterium tuberculosis / Q000187:drug effects*; D010100:Oxygen / Q000737:chemistry; D013329:Structure-Activity Relationship
D000995:Antitubercular Agents; D001562:Benzimidazoles; D010100:Oxygen