Phi class glutathione transferases as molecular targets towards multiple-herbicide resistance: Inhibition analysis and pharmacophore design

Abstract Multiple-herbicide resistance (MHR) is a global threat to weed control in cereal crops. MHR weeds express specific phi class glutathione transferase (MHR-GSTF) that confers against multiple herbicides and therefore represents promising target weeds. Kinetics inhibition analysis of MHR-GSTFs from grass Lolium rigidum (LrGSTF) Alopecurus myosuroides (AmGSTF) crops Hordeum vulgare (HvGSTF) Triticum aestivum (TaGSTF) allowed the identification acetanilide herbicide butachlor as potent selective inhibitor towards MHR-GSTFs. Also, stronger for LrGSTF AmGSTF compared HvGSTF TaGSTF The crystal structure was determined at 1.90 A resolution complex with S-(4-nitrobenzyl)glutathione. A 3D pharmacophore targeting designed used identify structural elements important inhibition. Structural GSTFs revealed decisive role conserved Tyr118 ligand binding design. Its positioning dependent on an outer patch adjacent residues span position 132 134 which are similar both but different TaGSTF. results presented here provide new knowledge may be adopted cope