An Atomistic Investigation of Adsorption of Bone Morphogenetic Protein-2 on Gold with Nanoscale Topographies
Nanoscale surface topographies mediated with biochemical cues influence the differentiation of stem cells into different lineages. This research focuses on the adsorption behavior of bone morphogenetic protein (BMP-2) on nanopatterned gold substrates, which can aid in the differentiation of bone and...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-02-01
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| Series: | Surfaces |
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| Online Access: | https://www.mdpi.com/2571-9637/5/1/10 |
| _version_ | 1797442020910825472 |
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| author | Izabele Marquetti Salil Desai |
| author_facet | Izabele Marquetti Salil Desai |
| author_sort | Izabele Marquetti |
| collection | DOAJ |
| description | Nanoscale surface topographies mediated with biochemical cues influence the differentiation of stem cells into different lineages. This research focuses on the adsorption behavior of bone morphogenetic protein (BMP-2) on nanopatterned gold substrates, which can aid in the differentiation of bone and cartilage tissue constructs. The gold substrates were patterned as flat, pillar, linear grating, and linear-grating deep based, and the BMP-2 conformation in end-on configuration was studied over 20 ns. The linear grating deep substrate pattern had the highest adsorption energy of around 125 kJ/mol and maintained its radius of gyration of 18.5 Å, indicating a stable adsorption behavior. Secondary structures including α-helix and β-sheet displayed no denaturation, and thus, the bioavailability of the BMP-2, for the deep linear-grating pattern. Ramachandran plots for the wrist and knuckle epitopes indicated no steric hindrances and provided binding sites to type I and type II receptors. The deep linear-grating substrate had the highest number of contacts (88 atoms) within 5 Å of the gold substrate, indicating its preferred nanoscale pattern choice among the substrates considered. This research provides new insights into the atomistic adsorption of BMP-2 on nanoscale topographies of a gold substrate, with applications in biomedical implants and regenerative medicine. |
| first_indexed | 2024-03-09T12:36:14Z |
| format | Article |
| id | doaj.art-afb22734789543b6b1832b3668d8f292 |
| institution | Directory Open Access Journal |
| issn | 2571-9637 |
| language | English |
| last_indexed | 2024-03-09T12:36:14Z |
| publishDate | 2022-02-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Surfaces |
| spelling | doaj.art-afb22734789543b6b1832b3668d8f2922023-11-30T22:24:44ZengMDPI AGSurfaces2571-96372022-02-015117618510.3390/surfaces5010010An Atomistic Investigation of Adsorption of Bone Morphogenetic Protein-2 on Gold with Nanoscale TopographiesIzabele Marquetti0Salil Desai1Department of Biomedical Affairs, Edward Via College of Osteopathic Medicine, Spartanburg, SC 29303, USACenter for Excellence in Product Design and Advanced Manufacturing, North Carolina A & T State University, Greensboro, NC 27411, USANanoscale surface topographies mediated with biochemical cues influence the differentiation of stem cells into different lineages. This research focuses on the adsorption behavior of bone morphogenetic protein (BMP-2) on nanopatterned gold substrates, which can aid in the differentiation of bone and cartilage tissue constructs. The gold substrates were patterned as flat, pillar, linear grating, and linear-grating deep based, and the BMP-2 conformation in end-on configuration was studied over 20 ns. The linear grating deep substrate pattern had the highest adsorption energy of around 125 kJ/mol and maintained its radius of gyration of 18.5 Å, indicating a stable adsorption behavior. Secondary structures including α-helix and β-sheet displayed no denaturation, and thus, the bioavailability of the BMP-2, for the deep linear-grating pattern. Ramachandran plots for the wrist and knuckle epitopes indicated no steric hindrances and provided binding sites to type I and type II receptors. The deep linear-grating substrate had the highest number of contacts (88 atoms) within 5 Å of the gold substrate, indicating its preferred nanoscale pattern choice among the substrates considered. This research provides new insights into the atomistic adsorption of BMP-2 on nanoscale topographies of a gold substrate, with applications in biomedical implants and regenerative medicine.https://www.mdpi.com/2571-9637/5/1/10adsorptionbone morphogenetic protein-2goldmolecular dynamicsnanoscale topographiesregenerative medicine |
| spellingShingle | Izabele Marquetti Salil Desai An Atomistic Investigation of Adsorption of Bone Morphogenetic Protein-2 on Gold with Nanoscale Topographies Surfaces adsorption bone morphogenetic protein-2 gold molecular dynamics nanoscale topographies regenerative medicine |
| title | An Atomistic Investigation of Adsorption of Bone Morphogenetic Protein-2 on Gold with Nanoscale Topographies |
| title_full | An Atomistic Investigation of Adsorption of Bone Morphogenetic Protein-2 on Gold with Nanoscale Topographies |
| title_fullStr | An Atomistic Investigation of Adsorption of Bone Morphogenetic Protein-2 on Gold with Nanoscale Topographies |
| title_full_unstemmed | An Atomistic Investigation of Adsorption of Bone Morphogenetic Protein-2 on Gold with Nanoscale Topographies |
| title_short | An Atomistic Investigation of Adsorption of Bone Morphogenetic Protein-2 on Gold with Nanoscale Topographies |
| title_sort | atomistic investigation of adsorption of bone morphogenetic protein 2 on gold with nanoscale topographies |
| topic | adsorption bone morphogenetic protein-2 gold molecular dynamics nanoscale topographies regenerative medicine |
| url | https://www.mdpi.com/2571-9637/5/1/10 |
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