Unfolding IGDQ Peptides for Engineering Motogenic Interfaces

Federica De Leo, Riccardo Marega, Valentina Corvaglia, Rodolfo Tondo, Matteo Lo Cicero, Simone Silvestrini, Davide Bonifazi

Research output: Contribution to journalArticle

Abstract

Extracellular matrix (ECM)-mimicking surfaces are pivotal tools in understanding adherent cell physiopathology. In this sense, we have recently reported on a discrete set of ECM-mimicking SAMs, among which only those exposing IGDQ peptide-alkanethiols sustain the adhesion of MDA-MB-231 cells by triggering FAK phosphorylation and peculiarly induce the migration of individual cancer cells on the subcentimeter scale. Starting from the experimentally observed relationship among the SAM composition, organization, and biological response, a systematic computational characterization aided in pinpointing the atomistic details through which specific composition and organization achieve the desired biological responsiveness. Specifically, the solvent, number and type of peptides, and presence or absence of surface fillers were accurately considered, creating representative model SAMs simulated by means of classical molecular dynamics (MD) with a view toward unravelling the experimental evidence, revealing how the conformational and structural features of these substrates dictate the specific motogenic responses. Through complementary experimental and computational investigations, it clearly emerges that there exists a distinct and precise mutual interaction among IGDQ-peptides, the surface fillers, and Au, which controls the structural properties of the ECM-mimicking SAMs and thus their motogenic potential.

Original languageEnglish
Pages (from-to)7512-7528
Number of pages17
JournalLangmuir
Volume33
Issue number30
DOIs
Publication statusPublished - 1 Aug 2017

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Peptides
peptides
engineering
fillers
Fillers
matrices
multiple docking adapters
phosphorylation
Phosphorylation
cells
Chemical analysis
Molecular dynamics
Structural properties
adhesion
Adhesion
cancer
Cells
molecular dynamics
Substrates
interactions

Cite this

De Leo, F., Marega, R., Corvaglia, V., Tondo, R., Lo Cicero, M., Silvestrini, S., & Bonifazi, D. (2017). Unfolding IGDQ Peptides for Engineering Motogenic Interfaces. Langmuir, 33(30), 7512-7528. https://doi.org/10.1021/acs.langmuir.6b04381
De Leo, Federica ; Marega, Riccardo ; Corvaglia, Valentina ; Tondo, Rodolfo ; Lo Cicero, Matteo ; Silvestrini, Simone ; Bonifazi, Davide. / Unfolding IGDQ Peptides for Engineering Motogenic Interfaces. In: Langmuir. 2017 ; Vol. 33, No. 30. pp. 7512-7528.
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De Leo, F, Marega, R, Corvaglia, V, Tondo, R, Lo Cicero, M, Silvestrini, S & Bonifazi, D 2017, 'Unfolding IGDQ Peptides for Engineering Motogenic Interfaces', Langmuir, vol. 33, no. 30, pp. 7512-7528. https://doi.org/10.1021/acs.langmuir.6b04381

Unfolding IGDQ Peptides for Engineering Motogenic Interfaces. / De Leo, Federica; Marega, Riccardo; Corvaglia, Valentina; Tondo, Rodolfo; Lo Cicero, Matteo; Silvestrini, Simone; Bonifazi, Davide.

In: Langmuir, Vol. 33, No. 30, 01.08.2017, p. 7512-7528.

Research output: Contribution to journalArticle

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De Leo F, Marega R, Corvaglia V, Tondo R, Lo Cicero M, Silvestrini S et al. Unfolding IGDQ Peptides for Engineering Motogenic Interfaces. Langmuir. 2017 Aug 1;33(30):7512-7528. https://doi.org/10.1021/acs.langmuir.6b04381