التفاصيل البيبلوغرافية
| العنوان: |
In Silico Study of Novel Cyclodextrin Inclusion Complexes of Polycaprolactone and Its Correlation with Skin Regeneration |
| المؤلفون: |
René Gerardo Escobedo-González, Edgar Daniel Moyers-Montoya, Carlos Alberto Martínez-Pérez, Perla Elvia García-Casillas, René Miranda-Ruvalcaba, María Inés Nicolás Nicolás-Vázquez |
| المصدر: |
International Journal of Molecular Sciences; Volume 24; Issue 10; Pages: 8932 |
| بيانات النشر: |
Multidisciplinary Digital Publishing Institute |
| سنة النشر: |
2023 |
| المجموعة: |
MDPI Open Access Publishing |
| مصطلحات موضوعية: |
inclusion complexes, β–cyclodextrin, polycaprolactone, in silico study |
| جغرافية الموضوع: |
agris |
| الوصف: |
Three novel biomaterials obtained via inclusion complexes of β–cyclodextrin, 6-deoxi-6-amino-β–cyclodextrin and epithelial growth factor grafted to 6-deoxi-6-amino-β–cyclodextrin with polycaprolactone. Furthermore, some physicochemical, toxicological and absorption properties were predicted using bioinformatics tools. The electronic, geometrical and spectroscopical calculated properties agree with the properties obtained via experimental methods, explaining the behaviors observed in each case. The interaction energy was obtained, and its values were −60.6, −20.9 and −17.1 kcal/mol for β–cyclodextrin/polycaprolactone followed by the 6-amino-β–cyclodextrin-polycaprolactone complex and finally the complex of epithelial growth factor anchored to 6-deoxy-6-amino–β–cyclodextrin/polycaprolactone. Additionally, the dipolar moments were calculated, achieving values of 3.2688, 5.9249 and 5.0998 Debye, respectively, and in addition the experimental wettability behavior of the studied materials has also been explained. It is important to note that the toxicological predictions suggested no mutagenic, tumorigenic or reproductive effects; moreover, an anti-inflammatory effect has been shown. Finally, the improvement in the cicatricial effect of the novel materials has been conveniently explained by comparing the poly-caprolactone data obtained in the experimental assessments. |
| نوع الوثيقة: |
text |
| وصف الملف: |
application/pdf |
| اللغة: |
English |
| Relation: |
Macromolecules; https://dx.doi.org/10.3390/ijms24108932 |
| DOI: |
10.3390/ijms24108932 |
| الاتاحة: |
https://doi.org/10.3390/ijms24108932 |
| Rights: |
https://creativecommons.org/licenses/by/4.0/ |
| رقم الانضمام: |
edsbas.A92E87FA |
| قاعدة البيانات: |
BASE |