EPA established at the NCGC "proof of principle" libraries of 1,408 and 1,462 compounds, respectively, with each compound dissolved and stored in dimethyl sulfoxide (DMSO), to be evaluated for activity in 1,536-well plate quantitative high throughput screens (qHTS), as described by Inglese et al.
Under the collaboration, NCGC will use Invitrogen's CellSensor(TM) cell lines and GeneBLAzer(R) beta-lactamase reporter gene technology to identify compounds that modulate disease relevant signaling pathways.
EPA have produced an extensive set of concentration-response data on some 2,800 substances screened at the NCGC in > 70 qHTS assays and on 320 substances tested across > 500 in vitro and lower organism in vivo assays by various contract and government laboratories.
Briefly, raw plate reads for each titration point were first normalized relative to the positive control compound and DMSO-only wells and then corrected by applying an NCGC in-house pattern correction algorithm using compound-free control plates (i.
Mancozeb was classified as a nonagonist in all docking models and was found to be a nonagonist in experimental studies, whereas butafenacil, per-methrin, and [beta]-cyfluthrin were all classified as agonists in both the docking and experimental methods based on our HepG2 data and the NCGC ToxCast data (Judson et al.