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Fungal Cutinase-Like Hydrolases As Prospective PET-Degrading Enzymes: An In Silico Analysis
Summary
Scientists used computer modeling to show that certain fungal enzymes have a similar shape and chemical "cutting tools" as a bacterial enzyme already known to break down plastic bottles (PET). This matters because plastic pollution and the microplastics it creates are showing up in our food, water, and even bodies — and finding new enzymes that can break down this waste could lead to better tools for cleaning up plastic before it becomes the tiny particles linked to health concerns. This is still early-stage, computer-based research, so real-world lab testing is needed to confirm these fungal enzymes actually work in practice.
The accumulation of polyethylene terephthalate (PET) waste and microplastics generated from the waste has increased alarmingly, and mandates the need for sustainable biodegradation strategies. The bacterial PETase enzyme from Ideonella sakaiensis has been studied exclusively for PET biodegradation, along with similar enzymes from other bacterial sources; however, fungal polyester-degrading hydrolases remain underexplored. Therefore, this study investigated the structural and functional similarity between Ideonella sakaiensis PETase and fungal cutinase-like hydrolases employing computational bioinformatics approaches. A fungal hydrolase sequence obtained from UniProtKB was analyzed using BLASTp, multiple sequence alignment, phylogenetic analysis, and structural comparison tools. Conserved catalytic motifs and Ser–His–Asp/Glu catalytic triads were identified among bacterial PETase and fungal enzymes. Functional domain analysis through InterPro Scan confirmed the presence of conserved α/β hydrolase domains. Furthermore, Structural superimposition using UCSF ChimeraX revealed conservation of the core α/β hydrolase architecture with a low RMSD value despite divergence in loop regions. The findings suggest that fungal cutinase-like hydrolases possess PETase-associated structural and catalytic characteristics and may play a vital role in future PET biodegradation and microplastic remediation strategies.