Investigation on quantitatıve structure-activity relationshıps of benzoylamino benzoic acıd derivatives as β-ketoacyl-acyl carrıer protein synthase ııı (fabh) inhibitors

Year 2017, Volume: 21 Issue: 3, 631 - 643, 23.06.2017

Pp Subramani Sv Khare Sp Choudhari S.p Phalle Ss Kumbhar Vs Kavade Aa Pratavale Pb Choudhari

https://doi.org/10.12991/marupj.323295

Abstract

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)

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