Evolution and functional role prediction of the CYP6DE and CYP6DJ subfamilies in (Curculionidae: Scolytinae) bark beetles.

Front Mol Biosci

Laboratorio de Variación Biológica y Evolución, Departamento de Zoología, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Prolongación de Carpio y Plan de Ayala s/n, Mexico City, Mexico.

Published: October 2023

AI Article Synopsis

  • * The study focused on the evolutionary functions of CYP6DE and CYP6DJ subfamilies, utilizing phylogenetic analysis and molecular docking to examine how these enzymes interact with various monoterpenes.
  • * Findings revealed multiple phylogenetic subgroups with distinct evolutionary patterns; CYP6DE exhibits type I and II divergence, enhancing detoxification abilities, while CYP6DJ operates under strong constraints, highlighting the specialization and adaptability of these enzymes in bark beetles.

Article Abstract

-bark beetles are natural components and key ecological agents of coniferous forests. They spend most of their lives under the bark, where they are exposed to highly toxic terpenes present in the oleoresin. Cytochrome P450 (CYP) is a multigene family involved in the detoxification of these compounds. It has been demonstrated that CYP6DE and CYP6DJ subfamilies hydroxylate monoterpenes, whose derivatives can act as pheromone synergist compounds or be pheromones themselves in these insects. Given the diversity and functional role of CYPs, we investigated whether these cytochromes have retained their function throughout the evolution of these insects. To test this hypothesis, we performed a Bayesian phylogenetic analysis to determine phylogenetic subgroups of cytochromes in these subfamilies. Subgroups were mapped and reconciled with the phylogeny. Molecular docking analyses were performed with the cytochromes of each subgroup and enantiomers of -pinene and -pinene, (+)-3-carene, -myrcene and -(+)-limonene. In addition, functional divergence analysis was performed to identify critical amino acid sites that influence changes in catalytic site conformation and/or protein folding. Three and two phylogenetic subgroups were recovered for the CYP6DE and CYP6DJ subfamilies, respectively. Mapping and reconciliation analysis showed different gain and loss patterns for cytochromes of each subgroup. Functional predictions indicated that the cytochromes analyzed are able to hydroxylate all monoterpenes; however, they showed preferential affinities to different monoterpenes. Functional divergence analyses indicated that the CYP6DE subfamily has experimented type I and II divergence, whereas the CYP6DJ subfamily has evolved under strong functional constraints. Results suggest cytochromes of the CYP6DE subfamily evolve to reinforce their detoxifying capacity hydroxylating mainly - and -pinene to (+) and (-)--verbenol, being the negative enantiomer used as a pheromone by several species; whereas cytochromes of the CYP6DJ subfamily appear to retain their original function related to the detoxification of these compounds.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10593416PMC
http://dx.doi.org/10.3389/fmolb.2023.1274838DOI Listing

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Evolution and functional role prediction of the CYP6DE and CYP6DJ subfamilies in (Curculionidae: Scolytinae) bark beetles.

Front Mol Biosci

October 2023

Laboratorio de Variación Biológica y Evolución, Departamento de Zoología, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Prolongación de Carpio y Plan de Ayala s/n, Mexico City, Mexico.

Article Synopsis
  • * The study focused on the evolutionary functions of CYP6DE and CYP6DJ subfamilies, utilizing phylogenetic analysis and molecular docking to examine how these enzymes interact with various monoterpenes.
  • * Findings revealed multiple phylogenetic subgroups with distinct evolutionary patterns; CYP6DE exhibits type I and II divergence, enhancing detoxification abilities, while CYP6DJ operates under strong constraints, highlighting the specialization and adaptability of these enzymes in bark beetles.
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