Study on Biocompatibility of AuNPs and Theoretical Design of a Multi-CDR-Functional Nanobody
| Autor: | Ya Jie Meng, Hong Lin Zhai, Rui Rui Liu, Li Ting Song, Min Zhu |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Biocompatibility
Nanoparticle Metal Nanoparticles Biocompatible Materials Molecular Dynamics Simulation 010402 general chemistry 01 natural sciences chemistry.chemical_compound Antigen 0103 physical sciences Materials Chemistry Humans Epidermal growth factor receptor Physical and Theoretical Chemistry 010304 chemical physics biology Chemistry Structural integrity 0104 chemical sciences Surfaces Coatings and Films ErbB Receptors Biophysics biology.protein Muramidase Gold Lysozyme Natural antibody |
| Zdroj: | The journal of physical chemistry. B. 123(35) |
| ISSN: | 1520-5207 |
| Popis: | The investigation on proteinlike specific functions of nanoparticles (NPs) has been a huge challenge. Here, the biocompatibility of Au nanoparticles (AuNPs) to antigens hen egg white lysozyme and epidermal growth factor receptor was studied first by molecular dynamics (MD) simulations and the research results revealed that antigens could form quickly a stable binding with the AuNPs and kept the structural integrity of the protein, which demonstrated better biocompatibility of AuNPs. Then, two types of complementary-determining regions (CDRs) were grafted onto the AuNPs to design a novel multi-CDR-functional nanobody. By means of MD simulations under physiological conditions, we found that the bindings of the designed nanobody and the antigens were stable and safe. Compared with the results of antigens interacting with the natural antibody, the redundant CDRs on AuNPs bound with the nonactive site in the antigens to form a stable conformation, which leaded to the powerful binding capacity of the designed nanobody than that of the natural antibody. This study provided available insights into the biocompatibility of AuNPs and important theoretical proofs to the multi-CDR-functional nanobody applied in biological systems, which were expected to help in design of novel multifunctional nanobodies. |
| Databáze: | OpenAIRE |
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