Multiproperty optimization of therapeutic antibodies through sequence editing via large language model and reinforcement learning

Discovering antibodies with multiple beneficial properties is essential for therapeutic drug development, but experimentally identified antibodies require further optimization. Joint optimization remains challenging because sequence space is vast, annotations are sparse and property tradeoffs are common. Herein, we propose AbOptimizer, a reinforcement learning framework for multiproperty antibody optimization through parallel multisite sequence editing. AbOptimizer identifies promising editing sites and edit actions, including 'reservation', 'substitution' and optional 'insertion' or 'deletion', before recommending mutations from protein language models, while surrogate evaluation and Pareto rewards shape policy training. We evaluate AbOptimizer on three therapeutic antibodies across multiproperty, data-limited and indel-inclusive optimization. In silico, AbOptimizer improves optimized properties and outperforms baseline methods. In vitro, selected variants show affinity-specificity co-optimization for emibetuzumab, improved affinity and specificity with largely maintained thermal stability for siltuximab, and indel-inclusive affinity optimization for trastuzumab. These results validate AbOptimizer as a practical framework for therapeutic antibody optimization.

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Publication Details

Journal
Nature Communications
Published
2026-10-26
DOI
https://doi.org/10.1038/s41467-026-78533-6
Primary Topic
Monoclonal and Polyclonal Antibodies Research
Type
article
Field-Weighted Citation Impact
0.00

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article

Multiproperty optimization of therapeutic antibodies through sequence editing via large language model and reinforcement learning

Zhankun Xiong, Zhiwei Wang, 华权高, Hongzhun Wang et al.
Nature Communications
Monoclonal and Polyclonal Antibodies Research
article

Multiproperty optimization of therapeutic antibodies through sequence editing via large language model and reinforcement learning

Zhankun Xiong, Zhiwei Wang, 华权高, Hongzhun Wang, Minyao Qiu, Xuan Liu, Wen Zhang, Feng F. Huang, Feng Ma, Mengxi Niu, Qin Shu, Yongkang Wang, Shaoxiang Luo
article en

Abstract

Discovering antibodies with multiple beneficial properties is essential for therapeutic drug development, but experimentally identified antibodies require further optimization. Joint optimization remains challenging because sequence space is vast, annotations are sparse and property tradeoffs are common. Herein, we propose AbOptimizer, a reinforcement learning framework for multiproperty antibody optimization through parallel multisite sequence editing. AbOptimizer identifies promising editing sites and edit actions, including 'reservation', 'substitution' and optional 'insertion' or 'deletion', before recommending mutations from protein language models, while surrogate evaluation and Pareto rewards shape policy training. We evaluate AbOptimizer on three therapeutic antibodies across multiproperty, data-limited and indel-inclusive optimization. In silico, AbOptimizer improves optimized properties and outperforms baseline methods. In vitro, selected variants show affinity-specificity co-optimization for emibetuzumab, improved affinity and specificity with largely maintained thermal stability for siltuximab, and indel-inclusive affinity optimization for trastuzumab. These results validate AbOptimizer as a practical framework for therapeutic antibody optimization.

Nature CommunicationsVol. 17(1)
Huazhong Agricultural University (CN), Wuhan Donghu University (CN)
National Natural Science Foundation of China, Huazhong Agricultural University, Fundamental Research Funds for the Central Universities
Openalex Percentile: Top 13%
Monoclonal and Polyclonal Antibodies Research
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