Marmara Pharmaceutical Journal 2017 , Vol 21 , Issue 3
Investigation on quantitative structure-activity relationships of benzoylamino benzoic acid derivatives as β-ketoacyl-acyl carrier protein synthase III (FABH) inhibitors
PP Subramani1,SV Khare1,SP Choudhari1,SP Phalle1,SS Kumbhar1,VS Kavade1,AA Pratavale2,PB Choudhari1
1Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, Maharashtra
2Department of Chemistry, Shivaji University, Kolhapur
DOI : 10.12991/marupj.323292 Fatty acid biosynthesis is an important process in the microorganism life cycle. β-Ketoacyl-acyl Carrier Protein Synthase III (FABH) catalyzes a critical step in fatty acid biosynthesis via type ii fatty acid biosynthesis. Series of 43 Benzoyl amino benzoic acid derivatives were subjected to 2D and 3D quantitative structure-activity relationships (QSAR) analysis via multiple linear regression and partial least square analysis respectively. Statistically significant four QSAR models were developed with good cross-validated correlation coefficient and external validation values. Developed QSAR model indicated the significance of the lipophilic parameters in an inhibitory potential of benzoyl amino benzoic acid derivatives. Keywords : QSAR, Benzoyl amino benzoic acid, FabHβ- Ketoacyl-acyl Carrier Protein Synthase III, Partial least square (PLS), Multiple linear regression (MLR)