Insight into vitronectin structural evolution on material surface chemistries: The mediation for cell adhesion  

作　　者：Tianjie Li Lijing Hao Jiangyu Li Chang Du Yingjun Wang 

机构地区：[1]Department of Biomedical Engineering,School of Materials Science and Engineering,South China University of Technology,Guangzhou,510641,PR China [2]National Engineering Research Center for Tissue Restoration and Reconstruction,PR China [3]Key Laboratory of Biomedical Materials and Engineering,Ministry of Education,South China University of Technology,Guangzhou,510006,PR China [4]Department of Mechanical Engineering,University of Washington,Seattle,98195,Washington,United States [5]Guangzhou Regenerative Medicine and Health Guangdong Laboratory,510005,PR China

出　　处：《Bioactive Materials》2020年第4期1044-1052,共9页生物活性材料（英文）

基　　金：financially supported by the National Key R&D Program of China(2017YFC1105000);Science and Technology Planning Project of Guangdong Province(2017B030314008);National Natural Science Foundation of China(51572087,31700823);Shenzhen Science and Technology Innovation Committee(JCYJ20170818160503855);Outstanding Scholar Program of Guangzhou Regenerative Medicine and Health Guangdong Laboratory(2018GZR110102001);GDST-NWO science industry cooperation programme Chemistry(2018A050501006);Natural Science Foundation of Guangdong Province of China(2020A1515011354);the 111 Project(B13039).

摘　　要：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.

关 键 词：VITRONECTIN Protein adsorption Surface chemistry Cell adhesion Molecular dynamics simulation 

分 类 号：R318.08[医药卫生—生物医学工程]