Hydrogen–Deuterium Exchange Mass Spectrometry Reveals an Antibody-Induced Allosteric Pathway Driving SARS-CoV-2 Spike Trimer Disassembly

The rapid evolution of SARS-CoV-2 necessitates a deeper understanding of antibody neutralization mechanisms to guide the development of broad-spectrum therapies. Here, we integrate pulsed hydrogen-deuterium exchange mass spectrometry (HDX-MS), biolayer interferometry (BLI), and negative-stain electron microscopy (nsEM) to dissect the dynamic regulation of two engineered spike (S) protein constructs, the prefusion-stabilized S-6P and the wild-type-like S-R, by two antibody classes: the noncompetitive RBD class V antibody R1-32 and the competitive class I antibody B38. Our results show that both spike's native receptor, human angiotensin-converting enzyme 2 (ACE2), and B38 primarily protect epitopes within the receptor-binding domain (RBD), inducing a similar level of fusion-priming structural transitions without causing trimer disassembly. In contrast, R1-32 binds to a semicryptic epitope and uniquely triggers long-range allosteric destabilization across the "tripartite interface", a conserved structural hub centered around Domain C. This local perturbation propagates through region 962-977 to the trimer interface, driving time-dependent S-trimer disassembly, as further supported by nsEM. Combining these insights, eight fully conserved residues within the tripartite interface were identified as critical hotspots, representing potential targets for broad-spectrum antibodies capable of inducing trimer disassembly. Together, these findings establish a structure-dynamics framework for rational antibody design, emphasizing the targeting of conserved, conformation-sensitive epitopes to outpace viral immune evasion. Moreover, this work highlights pulsed HDX-MS as a powerful approach for resolving antibody-mediated dynamic regulation of the SARS-CoV-2 spike protein, facilitating the development of next-generation broad-spectrum therapeutics against emerging variants.

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Journal
Journal of the American Chemical Society
Published
2026-03-05
DOI
https://doi.org/10.1021/jacs.5c18784
Primary Topic
Monoclonal and Polyclonal Antibodies Research
Type
article
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article

Hydrogen–Deuterium Exchange Mass Spectrometry Reveals an Antibody-Induced Allosteric Pathway Driving SARS-CoV-2 Spike Trimer Disassembly

Banghui Liu, Qiuluan Chen, Huilin Li, Ruijie Liu et al.
Journal of the American Chemical Society
Monoclonal and Polyclonal Antibodies Research
article

Hydrogen–Deuterium Exchange Mass Spectrometry Reveals an Antibody-Induced Allosteric Pathway Driving SARS-CoV-2 Spike Trimer Disassembly

Banghui Liu, Qiuluan Chen, Huilin Li, Ruijie Liu, Yuxiang Luo, Xiaoli Xiong
article en

Abstract

The rapid evolution of SARS-CoV-2 necessitates a deeper understanding of antibody neutralization mechanisms to guide the development of broad-spectrum therapies. Here, we integrate pulsed hydrogen-deuterium exchange mass spectrometry (HDX-MS), biolayer interferometry (BLI), and negative-stain electron microscopy (nsEM) to dissect the dynamic regulation of two engineered spike (S) protein constructs, the prefusion-stabilized S-6P and the wild-type-like S-R, by two antibody classes: the noncompetitive RBD class V antibody R1-32 and the competitive class I antibody B38. Our results show that both spike's native receptor, human angiotensin-converting enzyme 2 (ACE2), and B38 primarily protect epitopes within the receptor-binding domain (RBD), inducing a similar level of fusion-priming structural transitions without causing trimer disassembly. In contrast, R1-32 binds to a semicryptic epitope and uniquely triggers long-range allosteric destabilization across the "tripartite interface", a conserved structural hub centered around Domain C. This local perturbation propagates through region 962-977 to the trimer interface, driving time-dependent S-trimer disassembly, as further supported by nsEM. Combining these insights, eight fully conserved residues within the tripartite interface were identified as critical hotspots, representing potential targets for broad-spectrum antibodies capable of inducing trimer disassembly. Together, these findings establish a structure-dynamics framework for rational antibody design, emphasizing the targeting of conserved, conformation-sensitive epitopes to outpace viral immune evasion. Moreover, this work highlights pulsed HDX-MS as a powerful approach for resolving antibody-mediated dynamic regulation of the SARS-CoV-2 spike protein, facilitating the development of next-generation broad-spectrum therapeutics against emerging variants.

Journal of the American Chemical SocietyVol. 148(10)
Sun Yat-sen University (CN), Guangdong Pharmaceutical University (CN), Chinese Academy of Sciences (CN), Guangzhou Institutes of Biomedicine and Health (CN), Guangzhou Regenerative Medicine and Health Guangdong Laboratory (CN), Chinese Academy of Agricultural Sciences (CN), Bioland (South Korea) (KR)
Openalex Percentile: Top 34%
Monoclonal and Polyclonal Antibodies Research
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