Interactions of Bevacizumab with chitosan biopolymer nanoparticles: Molecular modeling and spectroscopic study
| Autor: | Fereshteh Abdi, Kamran Mansouri, Zahra Shekarbeygi, Ebrahim Barzegari, Elham Arkan |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
genetic structures
Bevacizumab Nanoparticle macromolecular substances engineering.material Chitosan chemistry.chemical_compound Materials Chemistry medicine Physical and Theoretical Chemistry Spectroscopy chemistry.chemical_classification Chemistry technology industry and agriculture Polymer Condensed Matter Physics medicine.disease eye diseases Atomic and Molecular Physics and Optics Electronic Optical and Magnetic Materials Vascular endothelial growth factor Docking (molecular) Corneal neovascularization Biophysics engineering sense organs Biopolymer medicine.drug |
| Zdroj: | Journal of Molecular Liquids. 339:116655 |
| ISSN: | 0167-7322 |
| DOI: | 10.1016/j.molliq.2021.116655 |
| Popis: | Corneal neovascularization and other angiogenic disorders are characterized by dysregulation of vascular endothelial growth factor (VEGF). Anti-VEGF therapy, particularly by applying the specific monoclonal antibody Bevacizumab is a widely-used treatment. Chitosan polymer nanoparticles are typically used for Bevacizumab delivery to the corneal tissue. This study aimed to investigate the interaction of chitosan polymer with Bevacizumab from structural, thermodynamic and pharmaceutical viewpoints. Synthesized and characterized chitosan nanoparticles were loaded with Bevacizumab and studied by spectroscopic techniques. 3D structural model of Bevacizumab and chitosan polymer were built and studied through computational modeling by docking and molecular dynamics simulations. Our results demonstrated a spontaneous enthalpy-driven interaction between Bevacizumab and chitosan, mainly involving electrostatic and hydrogen bonds. Docking and simulations confirmed that the ternary structure, secondary structures, and the complementarity-determining regions (CDRs) of Bevacizumab remained stable in the presence of chitosan. In conclusion, the relatively weak interaction between Bevacizumab and chitosan nanoparticles provides the basis for efficient capture and appropriate release of the drug by chitosan as the essential part of the Bevacizumab delivery system. |
| Databáze: | OpenAIRE |
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