Adsorption and immobilisation of human insulin on graphene monoxide, silicon carbide and boron nitride nanosheets investigated by molecular dynamics simulation

Atabay, Maryam; Sardroodi, Jaber Jahanbin; Ebrahimzadeh, Alireza Rastkar

doi:10.1080/08927022.2016.1270452

Cited by 11 publications

(10 citation statements)

References 102 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Outside of physiologically relevant simulation studies, we also found studies of insulin interactions with graphene, carbon nanotubes, material surfaces, and nanoparticles ( 89 , 91 , 106 , 107 , 112 , 116 ). Apart from the articles summarized in this review, we observed a significant number of theoretical studies elucidating the mechanism of formation of amyloid fibrils, stability of insulin or its modified forms in various types of solvents or confined environments, and relevant to alternate insulin delivery, which we have classified as miscellaneous studies ( 76 , 118 , 175 – 202 ).…”

Section: Discussionmentioning

confidence: 99%

“…Atabay et al. ( 107 ) investigated the adsorption of insulin on biocompatible nanosheets (graphene monoxide, silicon carbide, and boron nitride) using MD simulations. The non-bonded interaction energy between insulin and nanosheets, key interacting residues, and the role of interfacial water molecules were probed in atomic detail.…”

Section: Review Of Simulation Studies (1985 - To Date)mentioning

confidence: 99%

See 1 more Smart Citation

Progress in Simulation Studies of Insulin Structure and Function

Gorai

Vashisth

2022

Front. Endocrinol.

View full text Add to dashboard Cite

Insulin is a peptide hormone known for chiefly regulating glucose level in blood among several other metabolic processes. Insulin remains the most effective drug for treating diabetes mellitus. Insulin is synthesized in the pancreatic β-cells where it exists in a compact hexameric architecture although its biologically active form is monomeric. Insulin exhibits a sequence of conformational variations during the transition from the hexamer state to its biologically-active monomer state. The structural transitions and the mechanism of action of insulin have been investigated using several experimental and computational methods. This review primarily highlights the contributions of molecular dynamics (MD) simulations in elucidating the atomic-level details of conformational dynamics in insulin, where the structure of the hormone has been probed as a monomer, dimer, and hexamer. The effect of solvent, pH, temperature, and pressure have been probed at the microscopic scale. Given the focus of this review on the structure of the hormone, simulation studies involving interactions between the hormone and its receptor are only briefly highlighted, and studies on other related peptides (e.g., insulin-like growth factors) are not discussed. However, the review highlights conformational dynamics underlying the activities of reported insulin analogs and mimetics. The future prospects for computational methods in developing promising synthetic insulin analogs are also briefly highlighted.

show abstract

Section: Discussionmentioning

confidence: 99%

Section: Review Of Simulation Studies (1985 - To Date)mentioning

confidence: 99%

Progress in Simulation Studies of Insulin Structure and Function

Gorai

Vashisth

2022

Front. Endocrinol.

View full text Add to dashboard Cite

show abstract

“…GBM-hormone interactions. In addition to serum proteins, graphene substrates have also shown strong propensity to interact with hormones present in serum 36,37 . A molecular simulation study demonstrated how insulin hormones present in serum can interact with graphene ribbon-like surfaces of different sizes 36 .…”

Section: Gbm-biomolecular Interactionsmentioning

confidence: 99%

Linking graphene-based material physicochemical properties with molecular adsorption, structure and cell fate

2020

View full text Add to dashboard Cite

Graphene, an allotrope of carbon, consists of a single layer of carbon atoms with uniquely tuneable properties. As such, graphene-based materials (GBMs) have gained interest for tissue engineering applications. GBMs are often discussed in the context of how different physicochemical properties affect cell physiology, without explicitly considering the impact of adsorbed proteins. Establishing a relationship between graphene properties, adsorbed proteins, and cell response is necessary as these proteins provide the surface upon which cells attach and grow. This review highlights the molecular adsorption of proteins on different GBMs, protein structural changes, and the connection to cellular function.O ver the past decade, graphene and graphene-based materials (GBMs), such as graphene oxide (GO), reduced graphene oxide (RGO), and their chemical derivatives, have gained substantial interest for the development of biomaterials for tissue engineering applications. The unique physicochemical properties of graphene and GBMs have been shown to significantly influence cell response, as previously reviewed 1,2 . In our previous review article, we highlighted the influence of GBM physical (roughness, topography, conductivity, and lateral dimension), chemical (wettability, surface functional moieties, and chemical interaction), and mechanical properties on cell response, without explicitly discussing how GBMs influence protein or biomolecular interaction 3 . The effect of graphene physicochemistry on biomolecular interactions of proteins has been reviewed separately 4-6 . Since proteins on biomaterial surfaces are a key mediator of subsequent cell behavior for nanomaterials 7-9 , the unique physicochemical properties of graphene offer exciting opportunities to control protein adsorption, orientation, conformation, and ultimately cell fate.The adsorbed protein distribution and conformation on biomaterial surfaces provide the cellinterfacing topographical, physical, and biochemical cues for cells to interact with and respond to a material 10 . Studies have demonstrated that a material's ability to adsorb proteins (e.g., albumin, vitronectin (Vn), fibronectin (Fn), collagen, and laminin) from the serum of cell culture media plays a vital role in cellular attachment and function 8,11 . Moreover, adsorption of the same protein but with different conformations, which exposes different domains to cells, has been

show abstract

“…Applications of nanosheets in biomedical field that involves in-vitro and in-vivo diagnostic measurements in biological systems such as tissues, blood and single cells [15,16,[31][32][33], as well as in medical imaging and in drug delivery [34][35][36][37]. Even though, graphene have been used extensively as adsorbent for many biomedical applications due to its unique properties and apparent biocompatibility [38][39][40][41], graphene has poor hydrophilicity that often requires the surface to be modified with hydrophilic moieties prior to its application [42][43][44]. Thus, mesoporous graphene-like multilayer silica nanosheets are emerging as an attractive alternate material for biomedical applications due to their unique and desirable features, such as high surface area, narrow size distribution, uniform dispersion, chemical stability, hydrophilicity, biocompatibility and high selectivity towards many molecules like peptides [12,22,[45][46][47][48][49][50].…”

Section: Introductionmentioning

confidence: 99%

Silica and carbon decorated silica nanosheet impact on primary human immune cells

Soubaihi

Furesi

Saoud

et al. 2018

Colloids and Surfaces B: Biointerfaces

View full text Add to dashboard Cite

Silica nanosheets (SiO NS) are considered to be a promising material in clinical practice for diagnosis and therapy applications. However, an appropriate surface functionalization is essential to guarantee high biocompatibility and molecule loading ability. Although SiO NS are chemically stable, its effects on immune systems are still being explored. In this work, we successfully synthesized a novel 2D multilayer SiO NS and SiO NS coated with carbon (C/SiO NS), and evaluated their impact on human Peripheral Blood Mononuclear Cells (PBMCs) and some immune cell subpopulations. We demonstrated that the immune response is strongly dependent on the surface functionalities of the SiO NS. Ex vivo experiments showed an increase in biocompatibility of C/SiO NS compared to SiO NS, resulting in a lowering of hemoglobin release together with a reduction in cellular toxicity and cellular activation. However, none of them are directly involved in the activation of the acute inflammation process with a consequent release of pro-inflammatory cytokines. The obtained results provide an important direction towards the biomedical applications of silica nanosheets, rendering them an attractive material for the development of future immunological therapies.

show abstract

Adsorption and immobilisation of human insulin on graphene monoxide, silicon carbide and boron nitride nanosheets investigated by molecular dynamics simulation

Cited by 11 publications

References 102 publications

Progress in Simulation Studies of Insulin Structure and Function

Progress in Simulation Studies of Insulin Structure and Function

Linking graphene-based material physicochemical properties with molecular adsorption, structure and cell fate

Silica and carbon decorated silica nanosheet impact on primary human immune cells

Contact Info

Product

Resources

About