Protein interactions with surfaces: Computational approaches and repellency

Szott, Luisa Mayorga; Horbett, Thomas A.

doi:10.1016/j.cbpa.2011.04.016

Cited by 28 publications

(25 citation statements)

References 32 publications

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“…The key role of Fg in mediating platelet and monocyte adhesion revealed by the selective depletion method led to the idea of a “design strategy” to try to improve the biocompatibility of biomaterials by making surfaces that would strongly resist the adsorption of Fg. Thus, the development of nonfouling surfaces became an important goal investigated by many research groups around the world, as reviewed in detail elsewhere . When it was further shown that platelet adhesion could be fully supported by amounts of Fg adsorption that were far below the amounts that adsorb to many surfaces from normal plasma, it was proposed that surfaces would have to be developed that had extremely low Fg adsorption.…”

Section: Prevention Of Fg Adsorption Using Nonfouling Surfacesmentioning

confidence: 99%

Fibrinogen adsorption to biomaterials

Horbett

2018

J Biomedical Materials Res

138

119

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Fibrinogen (Fg) adsorption is an important mechanism underlying cell adhesion to biomaterials and was the major focus of the author's research career. This article summarizes our work on Fg adsorption, with citations of related work as appropriate. The molecular properties of Fg that promote adsorption and cell adhesion will be described. In addition, the adsorption behavior of Fg from buffer, binary solutions with other proteins, and blood plasma will be discussed, including the Vroman effect. Studies of platelet adhesion to surfaces preadsorbed with blood plasmas selectively deficient in Fg, vitronectin (Vn), fibronectin (Fn), or von Willebrand's factor (vWf) will be reviewed. These studies clearly showed a major role for Fg in platelet adhesion under static conditions and both Fg and vWf for adhesion from flowing suspensions, but no significant role for Vn or Fn. However, it was also shown that platelet adhesion was poorly correlated with the total amount of adsorbed Fg, but very well correlated with the binding of antibodies specific to the cell binding domains of Fg. A brief overview of nonfouling surfaces for prevention of Fg adsorption will be given. A more extensive discussion of structural changes in Fg after its adsorption is included, including changes detected with both physicochemical and biological methods. A short discussion of the state of the art of structural determination of adsorbed proteins with computational methods is also given. A final section identifies Fg adsorption as the single most important event determining the biocompatibility of implants in soft tissue and in blood. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 106A: 2777-2788, 2018.

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Section: Prevention Of Fg Adsorption Using Nonfouling Surfacesmentioning

confidence: 99%

Fibrinogen adsorption to biomaterials

Horbett

2018

J Biomedical Materials Res

138

119

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“…Several of these provide a general overview of the adsorption of proteins at solid surfaces (Cohavi et al 2010;Costa et al 2013;Horbett & Brash, 1995;Rabe et al 2011;Qu et al 2013), whereas others focus on more specific aspects such as the determination of the adsorption kinetics of protein-surface binding by weakly bound mobile precursor states (Garland et al 2012), and adsorption on various different surface types, such as metallic surfaces (Tomba et al 2009;Vallee et al 2010), polymer surfaces (Hahm, 2014;Wei et al 2014) and protein repellent surfaces (Szott & Horbett, 2011). The physicochemical properties of nanomaterials, and their applications in medicine, biology and biotechnology, have also been reviewed in several papers (see, e.g.…”

Section: Introductionmentioning

confidence: 99%

Modeling and simulation of protein–surface interactions: achievements and challenges

Ozboyaci

Kokh

Corni

et al. 2016

Quart. Rev. Biophys.

197

199

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Abstract. Understanding protein-inorganic surface interactions is central to the rational design of new tools in biomaterial sciences, nanobiotechnology and nanomedicine. Although a significant amount of experimental research on protein adsorption onto solid substrates has been reported, many aspects of the recognition and interaction mechanisms of biomolecules and inorganic surfaces are still unclear. Theoretical modeling and simulations provide complementary approaches for experimental studies, and they have been applied for exploring protein-surface binding mechanisms, the determinants of binding specificity towards different surfaces, as well as the thermodynamics and kinetics of adsorption. Although the general computational approaches employed to study the dynamics of proteins and materials are similar, the models and force-fields (FFs) used for describing the physical properties and interactions of material surfaces and biological molecules differ. In particular, FF and water models designed for use in biomolecular simulations are often not directly transferable to surface simulations and vice versa. The adsorption events span a wide range of time-and length-scales that vary from nanoseconds to days, and from nanometers to micrometers, respectively, rendering the use of multi-scale approaches unavoidable. Further, changes in the atomic structure of material surfaces that can lead to surface reconstruction, and in the structure of proteins that can result in complete denaturation of the adsorbed molecules, can create many intermediate structural and energetic states that complicate sampling. In this review, we address the challenges posed to theoretical and computational methods in achieving accurate descriptions of the physical, chemical and mechanical properties of protein-surface systems. In this context, we discuss the applicability of different modeling and simulation techniques ranging from quantum mechanics through all-atom molecular mechanics to coarse-grained approaches. We examine uses of different sampling methods, as well as free energy calculations. Furthermore, we review computational studies of protein-surface interactions and discuss the successes and limitations of current approaches.

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“…Protein adsorption studies with aliphatic polyesters have contributed to better understanding protein–surface interactions and their influence on cell response to a biomaterial. For a concise assessment of protein interactions with biomaterial surfaces, we suggest two reviews by Szott and Horbett (, ). Rabe, Verdes, and Seeger () provide a more extensive review of the general phenomenon.…”

Section: Protein Adsorptionmentioning

confidence: 99%

Tuning the biomimetic behavior of scaffolds for regenerative medicine through surface modifications

Richbourg

Peppas

Sikavitsas

2019

J Tissue Eng Regen Med

153

115

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Tissue engineering and regenerative medicine rely extensively on biomaterial scaffolds to support cell adhesion, proliferation, and differentiation physically and chemically in vitro and in vivo. Changes to the surface characteristics of the scaffolds have the greatest impact on cell response. Here, we discuss five dominant surface modification approaches used to biomimetically improve the most common scaffolds for tissue engineering, those based on aliphatic polyesters. Scaffolds of aliphatic polyesters such as poly(L-lactic acid), poly(L-lactic-co-glycolic acid), and poly(ε-caprolactone) are often used in tissue engineering because they provide desirable, tunable properties such as ease of manufacturing, good mechanical properties, and nontoxic degradation products. However, cell–surface interactions necessary for tissue engineering are limited on these materials by their smooth postfabrication surfaces, hydrophobicity, and lack of recognizable biochemical binding sites. The surface modification techniques that have been developed for synthetic polymer scaffolds reduce initial barriers to cell adhesion, proliferation, and differentiation. Topographical modification, protein adsorption, mineral coating, functional group incorporation, and biomacromolecule immobilization each contribute through varying mechanisms to improving cell interactions with aliphatic polyester scaffolds. Furthermore, rational combination of methods from these categories can provide nuanced, specific environments for targeted tissue development.

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Protein interactions with surfaces: Computational approaches and repellency

Cited by 28 publications

References 32 publications

Fibrinogen adsorption to biomaterials

Fibrinogen adsorption to biomaterials

Modeling and simulation of protein–surface interactions: achievements and challenges

Tuning the biomimetic behavior of scaffolds for regenerative medicine through surface modifications

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