Title : Unveiling potential PET degrading eukaryotes through in silico bioprospecting of PETases - Mendez-Zamora_2024_Sci.Total.Environ_948_174978 |
Author(s) : Mendez-Zamora A , Diaz-Vidal T , Robles-Machuca M , Pereira-Santana A , Casas-Godoy L |
Ref : Sci Total Environ , 948 :174978 , 2024 |
Abstract :
This study addresses the environmental problem of PET plastic through in silico bioprospecting for the identification and experimental validation of novel PET degrading eukaryotes through the in silico bioprospectingI of PETases, employing a methodology that combines Hidden Markov Models (HMMs), clustering techniques, molecular docking, and dynamic simulations. A total of 424 putative PETase sequences were identified from 219 eukaryotic organisms, highlighting six sequences with low affinity energies. The Aspergillus luchuensis sequence showed the lowest Gibbs free energy and exhibited stability at different temperatures in molecular dynamics assays. Experimental validation, through a plate clearance assay and HPLC, confirmed PETase activity in three wild-type fungal strains, with A. luchuensis showing the highest efficiency. The results obtained demonstrate the effectiveness of combining computational and experimental approaches as proof of concept to discover and validate eukaryotes with PET-degrading capabilities opening new perspectives for the sustainable management of this type of waste and contributing to its environmental mitigation. |
PubMedSearch : Mendez-Zamora_2024_Sci.Total.Environ_948_174978 |
PubMedID: 39047840 |
Gene_locus related to this paper: 9pezi-a0a6a6u1S0 , asptu-a0a8h3t4a4 , aspaw-a0a401klc3 , aspor-q2ud03 , 9euro-a0a146f3d6 , aspnc-a2qt70 |
Substrate | 2PET 4-PET |
Gene_locus | 9pezi-a0a6a6u1S0 asptu-a0a8h3t4a4 aspaw-a0a401klc3 aspor-q2ud03 9euro-a0a146f3d6 aspnc-a2qt70 |
Mendez-Zamora A, Diaz-Vidal T, Robles-Machuca M, Pereira-Santana A, Casas-Godoy L (2024)
Unveiling potential PET degrading eukaryotes through in silico bioprospecting of PETases
Sci Total Environ
948 :174978
Mendez-Zamora A, Diaz-Vidal T, Robles-Machuca M, Pereira-Santana A, Casas-Godoy L (2024)
Sci Total Environ
948 :174978