Design of immunogens to present a tumor-specific cryptic epitope

Abstract In many cancers, the epidermal growth factor receptor (EGFR) gene is amplified, mutated, or both. The monoclonal antibody mAb806 binds selectively to cancer cells that overexpress EGFR or express the truncated mutant EGFRvIII, but not to normal cells. This suggests that a promising avenue f...

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Main Authors: Huafeng Xu, Timothy Palpant, Qi Wang, David E. Shaw
Format: Article
Language:English
Published: Nature Portfolio 2025-04-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-025-94295-5
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author Huafeng Xu
Timothy Palpant
Qi Wang
David E. Shaw
author_facet Huafeng Xu
Timothy Palpant
Qi Wang
David E. Shaw
author_sort Huafeng Xu
collection DOAJ
description Abstract In many cancers, the epidermal growth factor receptor (EGFR) gene is amplified, mutated, or both. The monoclonal antibody mAb806 binds selectively to cancer cells that overexpress EGFR or express the truncated mutant EGFRvIII, but not to normal cells. This suggests that a promising avenue for developing cancer vaccines may be to design immunogens that elicit mAb806-like antibodies. In this study, we designed immunogens that present the mAb806-binding epitope in the same conformation as in overexpressed or truncated EGFR. We first used molecular dynamics simulations to identify conformations of EGFR in which the residues of the mAb806-binding epitope are accessible. We then designed immunogens by substituting that epitope in place of a structurally similar loop in a different protein and generating mutants that could potentially stabilize the mAb806-binding conformation in this new context. Two mutants in which the epitope remained stable in subsequent simulations were chosen for evaluation in vitro. Binding kinetics experiments with these designed immunogens provided strong evidence that the epitope was successfully stabilized in the mAb806-binding conformation, suggesting that they could potentially form the basis of vaccines that elicit cancer-selective antibodies.
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spelling doaj-art-b877f0bdfef24cc5982fbb11e8ad422c2025-08-20T01:56:06ZengNature PortfolioScientific Reports2045-23222025-04-0115111410.1038/s41598-025-94295-5Design of immunogens to present a tumor-specific cryptic epitopeHuafeng Xu0Timothy Palpant1Qi Wang2David E. Shaw3D. E. Shaw ResearchD. E. Shaw ResearchD. E. Shaw ResearchD. E. Shaw ResearchAbstract In many cancers, the epidermal growth factor receptor (EGFR) gene is amplified, mutated, or both. The monoclonal antibody mAb806 binds selectively to cancer cells that overexpress EGFR or express the truncated mutant EGFRvIII, but not to normal cells. This suggests that a promising avenue for developing cancer vaccines may be to design immunogens that elicit mAb806-like antibodies. In this study, we designed immunogens that present the mAb806-binding epitope in the same conformation as in overexpressed or truncated EGFR. We first used molecular dynamics simulations to identify conformations of EGFR in which the residues of the mAb806-binding epitope are accessible. We then designed immunogens by substituting that epitope in place of a structurally similar loop in a different protein and generating mutants that could potentially stabilize the mAb806-binding conformation in this new context. Two mutants in which the epitope remained stable in subsequent simulations were chosen for evaluation in vitro. Binding kinetics experiments with these designed immunogens provided strong evidence that the epitope was successfully stabilized in the mAb806-binding conformation, suggesting that they could potentially form the basis of vaccines that elicit cancer-selective antibodies.https://doi.org/10.1038/s41598-025-94295-5
spellingShingle Huafeng Xu
Timothy Palpant
Qi Wang
David E. Shaw
Design of immunogens to present a tumor-specific cryptic epitope
Scientific Reports
title Design of immunogens to present a tumor-specific cryptic epitope
title_full Design of immunogens to present a tumor-specific cryptic epitope
title_fullStr Design of immunogens to present a tumor-specific cryptic epitope
title_full_unstemmed Design of immunogens to present a tumor-specific cryptic epitope
title_short Design of immunogens to present a tumor-specific cryptic epitope
title_sort design of immunogens to present a tumor specific cryptic epitope
url https://doi.org/10.1038/s41598-025-94295-5
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AT timothypalpant designofimmunogenstopresentatumorspecificcrypticepitope
AT qiwang designofimmunogenstopresentatumorspecificcrypticepitope
AT davideshaw designofimmunogenstopresentatumorspecificcrypticepitope