New insights into the interaction of sugarcane cystatin (CaneCPI-5) with the surface of hydroxyapatite through molecular dynamics simulations
This study demonstrates that CaneCPI-5 has affinity for hydroxyapatite surfaces, with positively charged residues, particularly arginine. The stable binding observed throughout the simulations suggests that this protein may contribute to mechanisms that influence the integrity of dental enamel in demineralizing conditions.
Authors
- Flávio Henrique‐Silva (ORCID: https://orcid.org/0000-0003-3329-4597)
- Tiago E. de Oliveira (ORCID: https://orcid.org/0000-0001-9798-9916)
- Marília Afonso Rabelo Buzalaf (ORCID: https://orcid.org/0000-0002-5985-3951)
- Carolina Ruis Ferrari (ORCID: https://orcid.org/0000-0002-3997-043X)
- Paulo A. Netz (ORCID: https://orcid.org/0000-0003-4242-0591)
Institutions
- Universidade Federal do Rio Grande do Sul (BR)
- Universidade Federal de São Carlos (BR)
- Universidade de São Paulo (BR)
- Universidade Sagrado Coração (BR)
Publication Details
- Journal
- Caries Research
- Published
- 2025-06-13
- DOI
- https://doi.org/10.1159/000546942
- Primary Topic
- Dental Erosion and Treatment
- Type
- article
- Field-Weighted Citation Impact
- 0.00