Abstract
Background: Laccases can oxidize a broad spectrum of substrates, offering promising applications in various sectors, such as bioremediation, biomass fractionation in future biorefineries, and synthesis of biochemicals and biopolymers. However, laccase discovery and optimization with a desirable pH optimum remains a challenge due to the labor-intensive and time-consuming nature of the traditional laboratory methods.
Results: This study presents a machine learning (ML)-integrated approach for predicting pH optima of basidiomycete fungal laccases, utilizing a small, curated dataset against a vast metagenomic data. Comparative computational analyses unveiled the structural and pH-dependent solubility differences between acidic and neutral-alkaline laccases, helping us understand the molecular bases of enzyme pH optimum. The pH profiling of the two ML-predicted alkaline laccase candidates from the basidiomycete fungus Lepista nuda further validated our computational approach, showing the accuracy of this comprehensive method.
Conclusions: This study uncovers the efficacy of ML in the prediction of enzyme pH optimum from minimal datasets, marking a significant step towards harnessing computational tools for systematic screening of enzymes for biotechnology applications. Graphical Abstract: (Figure presented.)
Original language | English |
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Article number | 120 |
Number of pages | 15 |
Journal | Biotechnology for Biofuels and Bioproducts |
Volume | 17 |
Issue number | 1 |
DOIs | |
Publication status | Published - 11 Sept 2024 |
MoE publication type | A1 Journal article-refereed |
Keywords
- Alkaline laccase
- Basidiomycete fungi
- Machine learning
- pH optimum
- Prediction
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Additional file 1 of Discovery of alkaline laccases from basidiomycete fungi through machine learning-based approach
Wan, X. (Creator), Shahrear, S. (Creator), Chew, S. W. (Creator), Vilaplana, F. (Creator) & Mäkelä, M. R. (Creator), Springer, 12 Sept 2024
DOI: 10.6084/m9.figshare.27000685.v1, https://springernature.figshare.com/articles/dataset/Additional_file_1_of_Discovery_of_alkaline_laccases_from_basidiomycete_fungi_through_machine_learning-based_approach/27000685/1
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