Paper on Spike Protein Dynamics among the 2024 Chemical Science HOT Articles Collection

We’re pleased to share that our latest research has been featured among the 2024 Chemical Science HOT Article Collection and will be gracing the journal’s cover. This recognition highlights the significance of our study, which delves into the detailed dynamics of the SARS-CoV-2 spike protein, focusing on its interactions with water, glycans, and the viral membrane. These findings offer new perspectives on the spike protein's dynamics, opening doors to potential therapeutic approaches.

Exploring Protein Interactions in Detail

The research team at Qubit Pharmaceuticals and Sorbonne Université utilized advanced molecular dynamics simulations with a high-resolution all-atom polarizable model. This approach enabled us to investigate the complex behavior of the spike protein and how it interacts with its surrounding environment.

A key aspect of our study was examining the spike protein's interactions with water molecules, glycans, and the viral membrane. We discovered how these interactions influence the stability and function of the spike protein. Specifically, the glycans and the water molecules play a significant role in shaping the spike protein’s behavior through a complex interaction network. Understanding these interactions provides valuable insights into how the spike protein maintains its function and stability in different states.

New Perspectives for Therapeutic Development

These findings offer new perspectives on the spike protein's dynamics, opening doors to potential therapeutic approaches. By focusing on the interactions between the spike protein and the glycans, we can explore innovative strategies for drug development. Targeting this complex interplay with glycans and water, may lead to new ways to address challenges in drug discovery.

At Qubit Pharmaceuticals, we are dedicated to advancing our understanding of protein dynamics through sophisticated computational methods. This study exemplifies how detailed insights into protein interactions can inform the development of new therapeutic strategies. We are excited about the potential applications of our research and continue to focus on leveraging these insights to contribute to effective drug discovery.

Representation of the Spike protein and its receptor binding domain"

Credits

The paper was authored by Marharyta Blazhynska (Sorbonne Université), Louis Lagardère (co-founder Qubit Pharmaceuticals, Sorbonne Université), Chengwen Liu (University of Texas at Austin), Olivier Adjoua (Sorbonne Université), Pengyu Ren (co-founder Qubit Pharmaceuticals, Department of Biomedical Engineering , The University of Texas at Austin) and Jean-Philip Piquemal (co-founder at CSO at Qubit Pharmaceuticals, Directeur du Laboratoire de Chimie Théorique at Sorbonne Université)