Personalized Treatment for Infantile Ascending Hereditary Spastic Paralysis Based on In Silico Strategies
Abstract
:1. Introduction
2. Results and Discussion
2.1. Setting-Up the Computational Strategy
2.2. 3D Models of VPS9 and RLD Domains and Related Mutants
2.3. VPS9 Models Stability
2.4. Homo and Heterodimers: Building and Structural/Energetic Analysis
2.5. VPS9 and Rab5
2.6. Analysis of Additional Mutants
2.7. Virtual Screening to Identify Small Molecules Restoring the Functionality of Alsin
2.8. Experimental Validation
3. Conclusions
4. Materials and Methods
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Rossi Sebastiano, M.; Ermondi, G.; Sato, K.; Otomo, A.; Hadano, S.; Caron, G. Personalized Treatment for Infantile Ascending Hereditary Spastic Paralysis Based on In Silico Strategies. Molecules 2022, 27, 7063. https://doi.org/10.3390/molecules27207063
Rossi Sebastiano M, Ermondi G, Sato K, Otomo A, Hadano S, Caron G. Personalized Treatment for Infantile Ascending Hereditary Spastic Paralysis Based on In Silico Strategies. Molecules. 2022; 27(20):7063. https://doi.org/10.3390/molecules27207063
Chicago/Turabian StyleRossi Sebastiano, Matteo, Giuseppe Ermondi, Kai Sato, Asako Otomo, Shinji Hadano, and Giulia Caron. 2022. "Personalized Treatment for Infantile Ascending Hereditary Spastic Paralysis Based on In Silico Strategies" Molecules 27, no. 20: 7063. https://doi.org/10.3390/molecules27207063