Nanoscale Engineering of Designer Cellulosomes

Gunnoo, Melissabye; Cazade, Pierre‐André; Galera‐Prat, Albert; Nash, M.; Czjzek, Mirjam; Cieplak, Marek; Álvarez, Beatriz Tarazona; Aguilar, M.; Karpol, Alon; Gaub, Hermann E.; Carrión‐Vázquez, Mariano; Bayer, Edward A.; Thompson, Damien

doi:10.1002/adma.201503948

Cited by 46 publications

(41 citation statements)

References 311 publications

(295 reference statements)

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“…Cellulose is a biodegradable and easily accessible natural polymer that is widely used in industry and diverse applications. [1][2][3][4][5] Furthermore, cellulose is both biocompatible and nontoxic, which additionally promotes its applications in medicine, for example in wound dressings, bone implants and bionanocomposites with antimicrobial activity. [6][7][8][9][10] Despite such a wide range of applications, the impact and interactions of cellulose with cells remain to be fully understood.…”

Section: Introductionmentioning

confidence: 99%

Phospholipid-Cellulose Interactions: Insight from Atomistic Computer Simulations for Understanding the Impact of Cellulose-Based Materials on Plasma Membranes

Gurtovenko

Mukhamadiarov

Kostritskii

et al. 2018

Preprint

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Cellulose is an important biocompatible and nontoxic polymer widely used in numerous biomedical applications. The impact of cellulose-based materials on cells and, more specifically, on plasma membranes that surround cells, however, remains poorly understood. To this end, here we performed atomic-scale molecular dynamics (MD) simulations of phosphatidylcholine (PC) and phosphatidylethanolamine (PE) bilayers interacting with the surface of a cellulose crystal. Both biased umbrella sampling and unbiased simulations clearly show the existence of strong attractive interactions between phospholipids and cellulose: the free energy of the cellulose-bilayer binding was found to be -1.89 and -1.96 kJ/mol per cellulose dimer for PC and PE bilayers, respectively.Although the values are similar, there is a pronounced difference between PC and PE bilayers. The driving force in both cases is the formation of hydrogen bonds. There are two distinct types of hydrogen bonds: 1) between the lipid head groups and the hydroxyl (hydroxymethyl) groups of cellulose, and 2) lipid-water and cellulose-water bonds. The former is the dominant component for PE systems whereas the latter dominates in PC systems. This suggests that achieving controlled binding via new cellulose modifications must pay close attention to the lipid head groups involved. The observed attractive phospholipid-cellulose interactions have a significant impact on bilayer properties: a cellulose crystal induces noticeable structural perturbations on the bilayer leaflet next to the crystal. Given that such perturbations can be undesirable when it comes to the interactions of cellulose-based materials with cell membranes, our computational studies suggest that the impact of cellulose could be reduced through chemical modification of the cellulose surface which prevents cellulose-phospholipid hydrogen bonding.

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Section: Introductionmentioning

confidence: 99%

Phospholipid-Cellulose Interactions: Insight from Atomistic Computer Simulations for Understanding the Impact of Cellulose-Based Materials on Plasma Membranes

Gurtovenko

Mukhamadiarov

Kostritskii

et al. 2018

Preprint

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“…AFM with the functionalized tip can be used for the single molecular interaction called as single‐molecule force spectroscopy (SMFS) . The use of SMFS with AFM facilitates the quantification of molecular forces involved in cell adhesion and unfolding of proteins.…”

Section: Nanomechanics Approaches and Techniques For Healthcarementioning

confidence: 99%

“…The specific forces can be measured by modifying the AFM tip with the receptors, ligands, peptides etc . Single molecule force spectroscopy has been employed to examine the receptor–ligand proteins (i.e., cohesin–dockerin, Coh–Doc), which play an important role in carbohydrate recognition and degradation by anaerobic bacteria ( Figure ) . When a Coh–Doc complex consisting of two proteins is pulled apart, the marker domains MD1 and MD2 unfold in series providing identifiable contour length increments (Δ L c ).…”

Section: Nanomechanics Approaches and Techniques For Healthcarementioning

confidence: 99%

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The Role of Nanomechanics in Healthcare

Nautiyal

Alam

Balani

et al. 2017

Adv Healthcare Materials

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Nanomechanics has played a vital role in pushing our capability to detect, probe, and manipulate the biological species, such as proteins, cells, and tissues, paving way to a deeper knowledge and superior strategies for healthcare. Nanomechanical characterization techniques, such as atomic force microscopy, nanoindentation, nanotribology, optical tweezers, and other hybrid techniques have been utilized to understand the mechanics and kinetics of biospecies. Investigation of the mechanics of cells and tissues has provided critical information about mechanical characteristics of host body environments. This information has been utilized for developing biomimetic materials and structures for tissue engineering and artificial implants. This review summarizes nanomechanical characterization techniques and their potential applications in healthcare research. The principles and examples of label-free detection of cancers and myocardial infarction by nanomechanical cantilevers are discussed. The vital importance of nanomechanics in regenerative medicine is highlighted from the perspective of material selection and design for developing biocompatible scaffolds. This review interconnects the advancements made in fundamental materials science research and biomedical technology, and therefore provides scientific insight that is of common interest to the researchers working in different disciplines of healthcare science and technology.

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“…A scaffolding protein assembles various cellulases with complementary activities, promoting a synergistic enhancement of cellulose degradation (11–13). Cellulose catalytic domains are attached via dockerin domains to the cohesin domain within the scaffolding protein.…”

Section: Introductionmentioning

confidence: 99%

Synergistic enhancement of cellulase pairs linked by consensus ankyrin repeats: Determination of the roles of spacing, orientation, and enzyme identity

2016

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Biomass deconstruction to small simple sugars is a potential approach to biofuels production, however the highly recalcitrant nature of biomass limits the economic viability of this approach. Thus, research on efficient biomass degradation is necessary to achieve large-scale production of biofuels. Enhancement of cellulolytic activity by increasing synergism between cellulase enzymes holds promise in achieving high-yield biofuels production. Here we have inserted cellulase pairs from extremophiles into hyper-stable α-helical consensus ankyrin repeat domain scaffolds. Such chimeric constructs allowed us to optimize arrays of enzyme pairs against a variety of cellulolytic substrates. We found that endocellulolytic domains CelA (CA) and Cel12A (C12A) act synergistically in the context of ankyrin repeats, with both three and four repeat spacing. The extent of synergy differs for different substrates. Also, having C12A N-terminal to CA provides greater synergy than the reverse construct, especially against filter paper. In contrast, we do not see synergy for these enzymes in tandem with CelK (CK) catalytic domain, a larger exocellulase, demonstrating the importance of enzyme identity in synergistic enhancement. Furthermore, we found endocellulases CelD and CA with three repeat spacing to act synergistically against filter paper. Importantly, connecting CA and C12A with a disordered linker of similar contour length, shows no synergistic enhancement, indicating that synergism results from connecting these domains with folded ankyrin repeats. These results show that ankyrin arrays can be used to vary spacing and orientation between enzymes, helping to design and optimize artificial cellulosomes, providing a novel architecture for synergistic enhancement of enzymatic cellulose degradation.

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Nanoscale Engineering of Designer Cellulosomes

Cited by 46 publications

References 311 publications

Phospholipid-Cellulose Interactions: Insight from Atomistic Computer Simulations for Understanding the Impact of Cellulose-Based Materials on Plasma Membranes

Phospholipid-Cellulose Interactions: Insight from Atomistic Computer Simulations for Understanding the Impact of Cellulose-Based Materials on Plasma Membranes

The Role of Nanomechanics in Healthcare

Synergistic enhancement of cellulase pairs linked by consensus ankyrin repeats: Determination of the roles of spacing, orientation, and enzyme identity

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