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Protein Interaction with Dendrimer Monolayers: Energy and Surface Topology
- Source :
- Symmetry, Vol 12, Iss 641, p 641 (2020), Symmetry, Volume 12, Issue 4
- Publication Year :
- 2020
- Publisher :
- MDPI AG, 2020.
-
Abstract
- Protein interaction with polymers layers is a keystone in designing bio-nano devices. Polyamidoamines (PAMAMs) are well-known polymers. Zero aromatic core dendrimers (ZAC) are molecules with no proven toxic effect in cultured cells. When coating nanodevices with enzymatic systems, active sites are disturbed by an interaction with the biosystem surface. Computational methods were used in order to simulate, characterize, and quantify protein&ndash<br />polymer interaction. Protein corona, i.e., surface proteins disposed on a viral membrane or nanodevice outer surface, are crucial in interactions with a potential pharmacological target or receptor. Corona symmetry has been observed in the Middle East respiratory syndrome-related coronavirus (MERS-CoV), severe acute respiratory syndrome coronavirus (SARS-CoV), and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). As a protein alpha 1 antitrypsin&rsquo<br />s a crystallographic structure was chosen. Protein&ndash<br />mono dendrimer layer systems were generated using in silico methods in order to simulate their interaction. Interactions were quantified using topological and quantum mechanical strategies. Results showed that PAMAM and ZAC interact differently with alpha 1 antitrypsin. Energy and topological surfaces of protein vary accordingly with the dendrimer monolayer. Topological surfaces have a higher sensibility in describing the interactions.
- Subjects :
- Physics and Astronomy (miscellaneous)
General Mathematics
Protein Corona
02 engineering and technology
polyamidoamines (PAMAM)
medicine.disease_cause
protein denaturation
03 medical and health sciences
Dendrimer
Monolayer
Computer Science (miscellaneous)
medicine
Molecule
Nanodevice
030304 developmental biology
Coronavirus
chemistry.chemical_classification
0303 health sciences
corona symmetry nano-bio-material
lcsh:Mathematics
alpha 1 antitrypsin
Polymer
Viral membrane
lcsh:QA1-939
021001 nanoscience & nanotechnology
chemistry
Chemistry (miscellaneous)
Biophysics
0210 nano-technology
zero aromatic core dendrimers
Subjects
Details
- ISSN :
- 20738994
- Volume :
- 12
- Database :
- OpenAIRE
- Journal :
- Symmetry
- Accession number :
- edsair.doi.dedup.....120b6510fee6f8233f772a447d38acc6