The RAISE computational framework successfully categorized sarbecoviruses based on hACE2 binding potential and identified specific mutations, such as T498Y/W, that enable human ACE2 utilization.
124 unique sarbecovirus receptor binding domains (RBDs) computationally extracted from 368 full-length spike sequences retrieved from NCBI and ZOVER databases
RAISE (Receptor binding domain-hACE2 Interaction Scoring Evaluation) computational framework integrating AlphaFold2 structural predictions with FoldX and AlphaFold2 interface scoring
Prediction and categorization of sarbecovirus RBD binding potential to human ACE2 (hACE2)surrogate
The RAISE computational model successfully predicts the human ACE2 binding potential of sarbecoviruses, providing a tool for preemptively assessing zoonotic spillover risks.
Animal sarbecoviruses, relatives of SARS-CoV or SARS-CoV-2, pose a significant zoonotic threat driven by their ability to bind the human ACE2 (hACE2) receptor. To address challenges in evaluating these threats, we developed RAISE (Receptor binding domain-hACE2 Interaction Scoring Evaluation), a computational framework that integrates structural predictions with interaction scoring. By scoring predicted hACE2 interactions, our RAISE model categorized sarbecoviruses into three groups: high potential (hACE2-binding), negligible potential (hACE2-nonbinding), and an intermediate "poised" state (a state defined by either weak binding activity or a high potential to evolve it). Mutation screening of two "hACE2-poised" sarbecoviruses, PDF-2370 and Khosta-1 using RAISE, revealed mutations such as T498Y/W that enabled human ACE2 utilization and expanded their ability to bind to ACE2 receptors from a broader range of species. The model's generalizability was further demonstrated through prospective application to merbecoviruses, highlighting its utility in preemptively assessing zoonotic threats across coronavirus lineages. RAISE provides a predictive roadmap for prioritizing risk viruses and guiding pandemic preparedness.
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He Huang
Lupeng Kong
Yanzhi Zhu
Nature Communications
Peking University
Chinese Academy of Medical Sciences & Peking Union Medical College
Beijing National Laboratory for Molecular Sciences
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Huang et al. (Sat,) conducted a other in Sarbecovirus spillover potential. RAISE (Receptor binding domain-hACE2 Interaction Scoring Evaluation) was evaluated on Prediction of hACE2 binding potential. The RAISE computational framework successfully categorized sarbecoviruses based on hACE2 binding potential and identified specific mutations, such as T498Y/W, that enable human ACE2 utilization.
www.synapsesocial.com/papers/69f04e08727298f751e71fcd — DOI: https://doi.org/10.1038/s41467-026-72327-6