Computational approach and electrochemical measurements for protein detection with MIP-based sensor

Mazouz, Zouhour; Mokni, Meriem; Fourati, Najla; Zerrouki, Chouki; Barbault, Florent; Seydou, Mahamadou; Kalfat, Rafik; Yaakoubi, Nourdin; Omezzine, Asma; Bouslema, Ali; Othmane, Ali

doi:10.1016/j.bios.2019.111978

Cited by 68 publications

(46 citation statements)

References 57 publications

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“…Better and easier detection methods could improve the diagnosis of viral infection and enable more efficient ways of defeating the COVID-19 pandemic. Recently, label-free protein detection has become relevant in research and clinical practice [ 14 , 15 ]. The discovery and detection of biomarkers during the diagnosis of human diseases is required for biomedical purposes [ 15 , 16 ].…”

Section: Introductionmentioning

confidence: 99%

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Molecularly imprinted polypyrrole based sensor for the detection of SARS-CoV-2 spike glycoprotein

Ratautaitė

Boguzaite

Brazys

et al. 2022

Electrochimica Acta

117

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This study describes the application of a polypyrrole-based sensor for the determination of SARS-CoV-2-S spike glycoprotein. The SARS-CoV-2-S spike glycoprotein is a spike protein of the coronavirus SARS-CoV-2 that recently caused the worldwide spread of COVID-19 disease. This study is dedicated to the development of an electrochemical determination method based on the application of molecularly imprinted polymer technology. The electrochemical sensor was designed by molecular imprinting of polypyrrole (Ppy) with SARS-CoV-2-S spike glycoprotein (MIP-Ppy). The electrochemical sensors with MIP-Ppy and with polypyrrole without imprints (NIP-Ppy) layers were electrochemically deposited on a platinum electrode surface by a sequence of potential pulses. The performance of polymer layers was evaluated by pulsed amperometric detection. According to the obtained results, a sensor based on MIP-Ppy is more sensitive to the SARS-CoV-2-S spike glycoprotein than a sensor based on NIP-Ppy. Also, the results demonstrate that the MIP-Ppy layer is more selectively interacting with SARS-CoV-2-S glycoprotein than with bovine serum albumin. This proves that molecularly imprinted MIP-Ppy-based sensors can be applied for the detection of SARS-CoV-2 virus proteins.

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Section: Introductionmentioning

confidence: 99%

“…Recently, label-free protein detection has become relevant in research and clinical practice [ 14 , 15 ]. The discovery and detection of biomarkers during the diagnosis of human diseases is required for biomedical purposes [ 15 , 16 ].…”

Section: Introductionmentioning

confidence: 99%

Molecularly imprinted polypyrrole based sensor for the detection of SARS-CoV-2 spike glycoprotein

Ratautaitė

Boguzaite

Brazys

et al. 2022

Electrochimica Acta

117

View full text Add to dashboard Cite

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“…Proteins, as essential components of organisms, play important roles in controlling biological activities and metabolism. Highly sensitive and selective identification and quantification of proteins are crucial due to their great importance for medical research and disease diagnoses in indicating pathological biological conditions [ 1 , 2 ]. For example, albumin in human urine has a significant value in the diagnoses of diabetic nephropathy, cardiovascular and renal disease [ 3 ].…”

Section: Introductionmentioning

confidence: 99%

“…During current pandemic period, IgG and its antibody provide reliable biomarkers related to COVID-19 [ 4 , 5 ], their detection can help prevent and control the virus infection at an early stage. However, routine technologies including mass spectrometry, enzyme-linked immunosorbent assays (ELISA) and fluorescence immunoassay, have varied capabilities for protein assay and there still remain several limitations due to high-cost and complex operations of such approaches [ 2 ]. Therefore, the development of a low-cost, stable and promising alternative method for protein detection is urgent and essential.…”

Section: Introductionmentioning

confidence: 99%

Liquid crystal-amplified optofluidic biosensor for ultra-highly sensitive and stable protein assay

et al. 2021

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Protein assays show great importance in medical research and disease diagnoses. Liquid crystals (LCs), as a branch of sensitive materials, offer promising applicability in the field of biosensing. Herein, we developed an ultrasensitive biosensor for the detection of low-concentration protein molecules, employing LC-amplified optofluidic resonators. In this design, the orientation of LCs was disturbed by immobilized protein molecules through the reduction of the vertical anchoring force from the alignment layer. A biosensing platform based on the whispering-gallery mode (WGM) from the LC-amplified optofluidic resonator was developed and explored, in which the spectral wavelength shift was monitored as the sensing parameter. The microbubble structure provided a stable and reliable WGM resonator with a high Q factor for LCs. It is demonstrated that the wall thickness of the microbubble played a key role in enhancing the sensitivity of the LC-amplified WGM microcavity. It is also found that protein molecules coated on the internal surface of microbubble led to their interactions with laser beams and the orientation transition of LCs. Both effects amplified the target information and triggered a sensitive wavelength shift in WGM spectra. A detection limit of 1 fM for bovine serum albumin (BSA) was achieved to demonstrate the high-sensitivity of our sensing platform in protein assays. Compared to the detection using a conventional polarized optical microscope (POM), the sensitivity was improved by seven orders of magnitude. Furthermore, multiple types of proteins and specific biosensing were also investigated to verify the potential of LC-amplified optofluidic resonators in the biomolecular detection. Our studies indicate that LC-amplified optofluidic resonators offer a new solution for the ultrasensitive real-time biosensing and the characterization of biomolecular interactions.

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“…6,7,8 However, with the development of computational techniques and computational power, different modelling approaches have been progressively used for quite some time to unravel the mechanisms of protein-materials interactions which cannot be probed by experimental means. The interaction of proteins, peptides, and amino acids with different kinds of surfaces like Au, 9,10,11 SiO2, 12,13,14,15,16 TiO2, 17,18 graphite, 17,18 , polymers, 19 self-assembled monolayers (SAMs) 20,21 have been studied using molecular dynamics (MD) simulation and density functional theory (DFT). This has helped in unveiling molecular/electronic level insights into the nature of the interplay between the surface and proteins, together with the information regarding the structural changes of proteins during adsorption phenomena.…”

Section: Introductionmentioning

confidence: 99%

Computational study on Strontium ion modified Fibronectin-Hydroxyapatite interaction

Basu

Maiti

2021

Preprint

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Protein adsorption is the first key step in cell-material interaction. The initial phase of such adsorption process can only be probed using modelling approaches like molecular dynamics (MD) simulation. Despite a large number of studies on the adsorption behaviour of proteins on different biomaterials including hydroxyapatite (HA); little attention has been paid towards quantitative assessment of the effects of various physicochemical influencers like surface modification, pH, and ionic strength. Among these factors, surface modification through isomorphic substitution of foreign ions inside the apatite structure is of particular interest in the context of protein-HA interaction as it is widely used to tailor the biological response of HA. Given this background, we present here the molecular-level understanding of fibronectin (FN) adsorption mechanism and kinetics on Sr2+-doped HA (001) surface, at 300K by means of all atom molecular dynamics simulation. Electrostatic interaction involved in adsorption of FN on HA was found to be significantly modified in presence of Sr2+ doping in apatite lattice. In harmony with the published experimental observations, the Sr-doped surface was found to better support FN adhesion compared to pure HA, with 10 mol% Sr-doped HA exhibiting best FN adsorption. Sr2+ ions also influence the stability of the secondary structure of FN, as observed from the root mean square deviation (RMSD) and root mean square fluctuation (RMSF) analysis. The presence of Sr2+ enhances the flexibility of specific residues (residue no. 20-44, 74-88) of the FN module. Rupture forces to disentangle FN from the biomaterials surface, obtained from steered molecular dynamics (SMD) simulations, were found to corroborate well with the results of equilibrium MD simulations. One particular observation is that, the availability of RGD motif for the interaction with cell surface receptor integrin is not significantly influenced by Sr2+ substitution. Summarizing, the present work establishes a quantitative foundation towards the molecular basis of the earlier experimentally validated better cytocompatibility of Sr-doped HA.

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Computational approach and electrochemical measurements for protein detection with MIP-based sensor

Cited by 68 publications

References 57 publications

Molecularly imprinted polypyrrole based sensor for the detection of SARS-CoV-2 spike glycoprotein

Molecularly imprinted polypyrrole based sensor for the detection of SARS-CoV-2 spike glycoprotein

Liquid crystal-amplified optofluidic biosensor for ultra-highly sensitive and stable protein assay

Computational study on Strontium ion modified Fibronectin-Hydroxyapatite interaction

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