Issue 29, 2024

Mechanism of non-phenolic substrate oxidation by the fungal laccase Type 1 copper site from Trametes versicolor: the case of benzo[a]pyrene and anthracene

Abstract

Laccases (EC 1.10.3.2) are multicopper oxidases with the capability to oxidize diverse phenolic and non-phenolic substrates. While the molecular mechanism of their activity towards phenolic substrates is well-established, their reactivity towards non-phenolic substrates, such as polycyclic aromatic hydrocarbons (PAHs), remains unclear. To elucidate the oxidation mechanism of PAHs, particularly the activation mechanism of the sp2 aromatic C–H bond, we conducted a density functional theory investigation on the oxidation of two PAHs (anthracene and benzo[a]pyrene) using an extensive model of the T1 copper catalytic site of the fungal laccase from Trametes versicolor.

Graphical abstract: Mechanism of non-phenolic substrate oxidation by the fungal laccase Type 1 copper site from Trametes versicolor: the case of benzo[a]pyrene and anthracene

Supplementary files

Article information

Article type
Paper
Submitted
10 5 2024
Accepted
07 7 2024
First published
09 7 2024
This article is Open Access
Creative Commons BY-NC license

Dalton Trans., 2024,53, 12152-12161

Mechanism of non-phenolic substrate oxidation by the fungal laccase Type 1 copper site from Trametes versicolor: the case of benzo[a]pyrene and anthracene

C. Orlando, I. C. Rizzo, F. Arrigoni, J. Zampolli, M. Mangiagalli, P. Di Gennaro, M. Lotti, L. De Gioia, T. Marino, C. Greco and L. Bertini, Dalton Trans., 2024, 53, 12152 DOI: 10.1039/D4DT01377H

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