A Fungal Defensin Targets the SARS−CoV−2 Spike Receptor−Binding Domain
Abstract
:1. Introduction
2. Materials and Methods
2.1. Construction and Analysis of the Complex between Micasin and RBD
2.2. Molecular Dynamics (MD) Simulations
2.3. Construction of Computational Model of (BH)−1
2.4. Oxidative Refolding of Chemically Synthesized Micasin Mutants
2.5. Renaturation of RBD from E. coli Inclusion Body
2.6. Circular Dichroism (CD) Spectroscopy Analysis
2.7. Determination of Peptide−RBD Binding Affinity Using MST
3. Results
3.1. Computational Complex Revealing Extensive Shape Complementarity between Micasin and RBD
3.2. Micasin Binds RBD with Micromolar Affinity
3.3. The Role of the γ−Core of Micasin in RBD Binding
3.4. Structure−Based Design Improving the RBD Binding Affinity of Micasin
4. Discussion
5. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
Abbreviations
References
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Gao, B.; Zhu, S. A Fungal Defensin Targets the SARS−CoV−2 Spike Receptor−Binding Domain. J. Fungi 2021, 7, 553. https://doi.org/10.3390/jof7070553
Gao B, Zhu S. A Fungal Defensin Targets the SARS−CoV−2 Spike Receptor−Binding Domain. Journal of Fungi. 2021; 7(7):553. https://doi.org/10.3390/jof7070553
Chicago/Turabian StyleGao, Bin, and Shunyi Zhu. 2021. "A Fungal Defensin Targets the SARS−CoV−2 Spike Receptor−Binding Domain" Journal of Fungi 7, no. 7: 553. https://doi.org/10.3390/jof7070553