Abstract
Persistent organic pollutants(POPs) cause various diseases in both human and wildlife and have become a new global environmental problem.The toxic effects of POPs can be induced through their binding to specific proteins in the body.In the present work,a reverse virtual screening method based on molecular docking was used to search for potential protein targets for two POPs,4,4-dichlorodiphenyldichloroethane(4,4-DDD) and 2,2,4,4,5,5-hexachlorobiphenyl(CB-153),from a protein structure database.Targets ranked in the top 5% were chosen for analysis using experimental information.All known targets appeared in the top 5%of targets.This study not only increases understanding of the toxic mechanism of POPs,but may also aid the design of novel recognition elements in biosensors.
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