This is a crisis in the making

A Study on the Rational Evolution and Degradation Mechanism of PET Hydrolases Using Graph-Based Learning

We combine structure-aware AI, experimental validation, and mechanistic diagnosis to engineer PET hydrolases for more efficient plastic biodegradation.

Graph learning PET hydrolases Mechanistic diagnosis

What is at stake?

PET waste is everywhere

01PET waste
02AI screening
03Enzyme design
04Mechanism

Accumulation

Millions of tons of PET accumulate in landfills and oceans, while natural degradation can take centuries.

Microplastics

PET waste breaks into microplastics that can spread through marine ecosystems and food chains.

Recycling gap

Traditional physical and chemical recycling can be energy-intensive and may create secondary pollution.

The Bottlenecks

From waste to resource, PET degradation faces critical bottlenecks

Despite advances in biocatalysis, industrial-scale plastic recycling is hindered by severe limitations.

Ice cubes on a cold surface

Fragile at High Temps

Yellow leaf on dark ground

Weak Natural Activity

Enzyme
Limits
Process Limits
Laboratory tubes in a rack

Inefficient Screening

Plastic pellets held in hands

Intermediate Accumulation

Current methods are too slow for a fast-growing crisis

AI-driven rational design unlocks PET hydrolase potential

We replace random mutations with Graph Neural Networks for precise active-site engineering. Furthermore, we deploy a synergistic dual-enzyme system (PETase + BHETase) to ensure the complete conversion of plastic waste into valuable TPA.

Workflow diagram for PET hydrolase engineering

Key results & impact

A scalable route toward more efficient PET biodegradation

Our AI-guided framework integrates graph learning, meta-learning, experimental validation, and mechanistic simulation to engineer PET hydrolases with improved catalytic performance and thermal robustness.

Engineered variants achieved up to 5.5x higher hydrolytic activity than their wild-type counterparts at 40-70C. An ML-optimized PETase/BHETase dual-enzyme system further improved intermediate conversion, increasing TPA yield by up to 1.5x.

Key results graphic showing 5.5x hydrolytic activity and 1.5x TPA yield

Let's explore PIM-NEBS

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