Evidence map›Paper›PMID 41515342›Full record

ReviewMolecules (Basel, Switzerland)2025

AI-Driven Enzyme Engineering: Emerging Models and Next-Generation Biotechnological Applications.

Mohd Faheem Khan, Mohd Tasleem Khan

Abstract readReview
In one paragraph

Review in Molecules (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.

0numbers the graph read from it
0cells of the map it votes in
20citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

20 citing papers in PubMed.

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  11. An Archaeal Cyclodextrin Glycosyltransferase fromInternational journal of molecular sciences · 2026
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

2 authors.

Mohd Faheem KhanUCD School of Agriculture and Food Science, University College Dublin, Belfield, Dublin 4, D04 V1W8 Dublin, Ireland.ORCID 0000-0002-0589-3368
Mohd Tasleem KhanSchool of Engineering & Physical Sciences, Heriot-Watt University, Edinburgh Campus, Edinburgh EH14 4AS, UK.ORCID 0000-0001-6106-1534

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Enzyme engineering drives innovation in biotechnology, medicine, and industry, yet conventional approaches remain limited by labour-intensive workflows, high costs, and narrow sequence diversity. Artificial intelligence (AI) is revolutionising this field by enabling rapid, precise, and data-driven enzyme design. Machine learning and deep learning models such as AlphaFold2, RoseTTAFold, ProGen, and ESM-2 accurately predict enzyme structure, stability, and catalytic function, facilitating rational mutagenesis and optimisation. Generative models, including ProteinGAN and variational autoencoders, enable de novo sequence creation with customised activity, while reinforcement learning enhances mutation selection and functional prediction. Hybrid AI-experimental workflows combine predictive modelling with high-throughput screening, accelerating discovery and reducing experimental demand. These strategies have led to the development of synthetic "synzymes" capable of catalysing non-natural reactions, broadening applications in pharmaceuticals, biofuels, and environmental remediation. The integration of AI-based retrosynthesis and pathway modelling further advances metabolic and process optimisation. Together, these innovations signify a shift from empirical, trial-and-error methods to predictive, computationally guided design. The novelty of this work lies in presenting a unified synthesis of emerging AI methodologies that collectively define the next generation of enzyme engineering, enabling the creation of sustainable, efficient, and functionally versatile biocatalysts.

Indexed as

Artificial IntelligenceBiotechnologyEnzymesProtein EngineeringAutoencoderGenerative Artificial IntelligenceMachine LearningEnzymesapplicationsartificial intelligencebiocatalysisenzyme engineeringmachine learningmutagenesisprotein structure

Identifiers

PMID41515342
PMCPMC12786422

What Socratic holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.