Mechanisms of interaction between persistent organic pollutants (POPs) and CYP2B6: An in silico approach
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文摘
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Interaction of 41 POPs with CYP2B6 was evaluated using computational tools.

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PBDE-99, PCB-187 and OCDD presented great affinity binding onto CYP2B6.

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Main interactions within the CYP2B6 catalytic pocket were hydrophobic in nature.

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Differences between DBDEs and OH-metabolites were less than −0.5 kcal/mol.

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Dioxins-CYP2B6 interactions suggest a role for accumulation and transportation.

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