QSAR Studies on 3-Nitro-2,4,6-trihydroxy Benzamide Derivatives as Photosynthetic Electron Transport Inhibitors

Abstract

A series of 3-nitro-2,4,6-trihydroxy benzamide and thio-amide derivatives possessing potent herbicidal activity by inhibiting photosynthetic electron transport was subjected for quantitative structure activity relationship analysis. The herbicidal activity was co-related with certain topological, 3-D structure dependent thermodynamic and charge dependent, descriptors for the minimum energy confirmations. Out of various descriptors studied, partition coefficient (log P), Wienier Index (WienI) and specific polarisability (Sp_pol) showed appreciable co-relation with activity. This study should enable prediction of activity of unknown compounds belonging to this category.