Search results for "triketones"
showing 2 items of 2 documents
Ensemble-based ADME-Tox profiling and virtual screening for the discovery of new inhibitors of the Leishmania mexicana cysteine protease CPB2.8ΔCTE
2018
Abstract: In an effort to identify novel molecular warheads able to inhibit Leishmania mexicana cysteine protease CPB2.8CTE, fused benzo[b]thiophenes and ,'-triketones emerged as covalent inhibitors binding the active site cysteine residue. Enzymatic screening showed a moderate-to-excellent activity (12%-90% inhibition of the target enzyme at 20m). The most promising compounds were selected for further profiling including in vitro cell-based assays and docking studies. Computational data suggest that benzo[b]thiophenes act immediately as non-covalent inhibitors and then as irreversible covalent inhibitors, whereas a reversible covalent mechanism emerged for the 1,3,3'-triketones with a Y-to…
DIAGSOL : development of a new functional marker of exposure to herbicides B-triketones in an agricultural soil
2020
Numerous herbicides target an enzyme found not only in weeds but also in « non-target organisms » such as microorganisms. This proof-of-concept study aims to use microbial gene encoding the targeted enzyme or the targeted enzyme itself as a marker for herbicide exposure in soils. The hppd gene and the encoded enzyme (HPPD; 4-hydroxyphenylpyruvate dioxygenase), targeted by B-triketone herbicides, are the subject of this study. In silico analyses reveal that the hppd gene is spread out in all bacterial phyla. Primers specific to this gene were designed. This primer pair is used to measure the abundance, the composition and the diversity of the hppd bacterial community in soil microcosms expos…