Enhanced Degradation of Pesticide Dichlorophen by Laccase Immobilized on Nanoporous Materials: A Cytotoxic and Molecular Simulation InvestigationClick to copy article linkArticle link copied!
- Abraham Vidal-LimonAbraham Vidal-LimonCentro de Nanociencias y Nanotecnologia, Universidad Nacional Autonoma de Mexico, km. 107 Carretera Tijuana-Ensenada, Pedregal Playitas, 22860 Ensenada, Baja California, MexicoMore by Abraham Vidal-Limon
- Patricia Concepción García SuárezPatricia Concepción García SuárezCentro de Nanociencias y Nanotecnologia, Universidad Nacional Autonoma de Mexico, km. 107 Carretera Tijuana-Ensenada, Pedregal Playitas, 22860 Ensenada, Baja California, MexicoFacultad de Deportes, Universidad Autónoma de Baja California, Ensenada, Baja California 22890, Mexico
- Evarista Arellano-GarcíaEvarista Arellano-GarcíaFacultad de Ciencias, Universidad Autónoma de Baja California, Ensenada, Baja California 22800, MexicoMore by Evarista Arellano-García
- Oscar E. ContrerasOscar E. ContrerasCentro de Nanociencias y Nanotecnologia, Universidad Nacional Autonoma de Mexico, km. 107 Carretera Tijuana-Ensenada, Pedregal Playitas, 22860 Ensenada, Baja California, MexicoMore by Oscar E. Contreras
- Sergio A. Aguila*Sergio A. Aguila*E-mail: [email protected]Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autonoma de Mexico, km. 107 Carretera Tijuana-Ensenada, Pedregal Playitas, 22860 Ensenada, Baja California, MexicoMore by Sergio A. Aguila
Abstract

Use of pesticides is usually related to overproduction of crops in order to overcome worldwide demand of food and alimentary safety. Nevertheless, pesticides are environmental persistent molecules, such as the organochlorine pesticides, which are often found in undesired places. In this work, we show that a hybrid nanomaterial (laccase–MSU-F) readily oxidizes the pesticide dichlorophen, reducing its acute genotoxicity and apoptotic effects. In order to predict chronic alterations related to endocrine disruption, we compared the calculated affinity of dichlorophen oxidized subproducts to steroid hormone nuclear receptors (NRs), using molecular simulation methods. We found a reduction in theoretical affinity of subproducts of oxidized dichlorophen for the ligand-binding pocket of NRs (∼5 kcal/mol), likewise of changes in binding modes, that suggests a reduction in binding events (RMSD values < 10 Å).
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