Insight into vitronectin structural evolution on material surface chemistries: The mediation for cell adhesion
Biomaterial surface chemistry engenders profound consequences on cell adhesion and the ultimate tissue response by adsorbing proteins from extracellular matrix, where vitronectin (Vn) is involved as one of the crucial mediator proteins. Deciphering the adsorption behaviors of Vn in molecular scale p...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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KeAi Communications Co., Ltd.
2020-12-01
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| Series: | Bioactive Materials |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2452199X20301237 |
| _version_ | 1797203226901086208 |
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| author | Tianjie Li Lijing Hao Jiangyu Li Chang Du Yingjun Wang |
| author_facet | Tianjie Li Lijing Hao Jiangyu Li Chang Du Yingjun Wang |
| author_sort | Tianjie Li |
| collection | DOAJ |
| description | Biomaterial surface chemistry engenders profound consequences on cell adhesion and the ultimate tissue response by adsorbing proteins from extracellular matrix, where vitronectin (Vn) is involved as one of the crucial mediator proteins. Deciphering the adsorption behaviors of Vn in molecular scale provides a useful account of how to design biomaterial surfaces. But the details of structural dynamics and consequential biological effect remain elusive. Herein, both experimental and computational approaches were applied to delineate the conformational and orientational evolution of Vn during adsorption onto self-assembled monolayers (SAMs) terminating with -COOH, -NH2, -CH3 and -OH. To unravel the interplay between cell binding and the charge and wettability of material surface, somatomedin-B (SMB) domain of Vn holding the RGD cell-binding motif was employed in molecular dynamics (MD) simulations, with orientation initialized by Monte Carlo (MC) method. Experimental evidences including protein adsorption, cell adhesion and integrin gene expressions were thoroughly investigated. The adsorption of Vn on different surface chemistries showed very complex profiles. Cell adhesion was enabled on all Vn-adsorbed surfaces but with distinct mechanisms mostly determined by conformational change induced reorientation. Higher amount of Vn was observed on negatively charged surface (COOH) and hydrophobic surface (CH3). However, advantageous orientations defined by RGD loop conditions were only obtained on the charged surfaces (COOH and NH2). Specifically, COOH surface straightened up the Vn molecules and accumulated them into a higher density, whereas CH3 surface squashed Vn and stacked them into higher density multilayer by tracking adsorption but with the RGD loops restrained. These findings may have a broad implication on the understanding of Vn functionality and would help develop new strategies for designing advanced biomaterials. |
| first_indexed | 2024-04-24T08:15:58Z |
| format | Article |
| id | doaj.art-4dcd256ea04d492990d8beb37f10cc67 |
| institution | Directory Open Access Journal |
| issn | 2452-199X |
| language | English |
| last_indexed | 2024-04-24T08:15:58Z |
| publishDate | 2020-12-01 |
| publisher | KeAi Communications Co., Ltd. |
| record_format | Article |
| series | Bioactive Materials |
| spelling | doaj.art-4dcd256ea04d492990d8beb37f10cc672024-04-17T03:32:18ZengKeAi Communications Co., Ltd.Bioactive Materials2452-199X2020-12-015410441052Insight into vitronectin structural evolution on material surface chemistries: The mediation for cell adhesionTianjie Li0Lijing Hao1Jiangyu Li2Chang Du3Yingjun Wang4Department of Biomedical Engineering, School of Materials Science and Engineering, South China University of Technology, Guangzhou, 510641, PR China; National Engineering Research Center for Tissue Restoration and Reconstruction, PR ChinaDepartment of Biomedical Engineering, School of Materials Science and Engineering, South China University of Technology, Guangzhou, 510641, PR China; National Engineering Research Center for Tissue Restoration and Reconstruction, PR ChinaDepartment of Mechanical Engineering, University of Washington, Seattle, 98195, Washington, United StatesDepartment of Biomedical Engineering, School of Materials Science and Engineering, South China University of Technology, Guangzhou, 510641, PR China; National Engineering Research Center for Tissue Restoration and Reconstruction, PR China; Key Laboratory of Biomedical Materials and Engineering, Ministry of Education, South China University of Technology, Guangzhou, 510006, PR China; Guangzhou Regenerative Medicine and Health Guangdong Laboratory, 510005, PR China; Corresponding author. Department of Biomedical Engineering, School of Materials Science and Engineering, South China University of Technology, Guangzhou, 510641, PR China.Department of Biomedical Engineering, School of Materials Science and Engineering, South China University of Technology, Guangzhou, 510641, PR China; National Engineering Research Center for Tissue Restoration and Reconstruction, PR China; Key Laboratory of Biomedical Materials and Engineering, Ministry of Education, South China University of Technology, Guangzhou, 510006, PR China; Corresponding author. Department of Biomedical Engineering, School of Materials Science and Engineering, South China University of Technology, Guangzhou, 510641, PR China.Biomaterial surface chemistry engenders profound consequences on cell adhesion and the ultimate tissue response by adsorbing proteins from extracellular matrix, where vitronectin (Vn) is involved as one of the crucial mediator proteins. Deciphering the adsorption behaviors of Vn in molecular scale provides a useful account of how to design biomaterial surfaces. But the details of structural dynamics and consequential biological effect remain elusive. Herein, both experimental and computational approaches were applied to delineate the conformational and orientational evolution of Vn during adsorption onto self-assembled monolayers (SAMs) terminating with -COOH, -NH2, -CH3 and -OH. To unravel the interplay between cell binding and the charge and wettability of material surface, somatomedin-B (SMB) domain of Vn holding the RGD cell-binding motif was employed in molecular dynamics (MD) simulations, with orientation initialized by Monte Carlo (MC) method. Experimental evidences including protein adsorption, cell adhesion and integrin gene expressions were thoroughly investigated. The adsorption of Vn on different surface chemistries showed very complex profiles. Cell adhesion was enabled on all Vn-adsorbed surfaces but with distinct mechanisms mostly determined by conformational change induced reorientation. Higher amount of Vn was observed on negatively charged surface (COOH) and hydrophobic surface (CH3). However, advantageous orientations defined by RGD loop conditions were only obtained on the charged surfaces (COOH and NH2). Specifically, COOH surface straightened up the Vn molecules and accumulated them into a higher density, whereas CH3 surface squashed Vn and stacked them into higher density multilayer by tracking adsorption but with the RGD loops restrained. These findings may have a broad implication on the understanding of Vn functionality and would help develop new strategies for designing advanced biomaterials.http://www.sciencedirect.com/science/article/pii/S2452199X20301237VitronectinProtein adsorptionSurface chemistryCell adhesionMolecular dynamics simulation |
| spellingShingle | Tianjie Li Lijing Hao Jiangyu Li Chang Du Yingjun Wang Insight into vitronectin structural evolution on material surface chemistries: The mediation for cell adhesion Bioactive Materials Vitronectin Protein adsorption Surface chemistry Cell adhesion Molecular dynamics simulation |
| title | Insight into vitronectin structural evolution on material surface chemistries: The mediation for cell adhesion |
| title_full | Insight into vitronectin structural evolution on material surface chemistries: The mediation for cell adhesion |
| title_fullStr | Insight into vitronectin structural evolution on material surface chemistries: The mediation for cell adhesion |
| title_full_unstemmed | Insight into vitronectin structural evolution on material surface chemistries: The mediation for cell adhesion |
| title_short | Insight into vitronectin structural evolution on material surface chemistries: The mediation for cell adhesion |
| title_sort | insight into vitronectin structural evolution on material surface chemistries the mediation for cell adhesion |
| topic | Vitronectin Protein adsorption Surface chemistry Cell adhesion Molecular dynamics simulation |
| url | http://www.sciencedirect.com/science/article/pii/S2452199X20301237 |
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