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See detailComplementary biophysical tools to investigate lipid specificity in the interaction between bioactive molecules and the plasma membrane: A review
Deleu, Magali ULg; Crowet, Jean-Marc ULg; Nasir, Mehmet Nail ULg et al

in Biochimica et Biophysica Acta - Biomembranes (in press)

Plasma membranes are complex entities common to all living cells. The basic principle of their organization appears very simple, but they are actually of high complexity and represent very dynamic ... [more ▼]

Plasma membranes are complex entities common to all living cells. The basic principle of their organization appears very simple, but they are actually of high complexity and represent very dynamic structures. The interactions between bioactive molecules and lipids are important for numerous processes, from drug bioavailablility to viral fusion. The cell membrane is a carefully balanced environment and any change inflicted upon its structure by a bioactive molecule must be considered in conjunction with the overall effect that this may have on the function and integrity of the membrane. Conceptually, understanding the molecular mechanisms by which bioactive molecules interact with cell membranes is of fundamental importance. Lipid specificity is a key factor for the detailed understanding of the penetration and/or activity of lipid-interacting molecules and of mechanisms of some diseases. Further investigation in that way should improve drug discovery and development of membrane-active molecules in many domains such as health, plant protection or microbiology. In this review, we will present complementary biophysical approaches that can give information about lipid specificity at a molecular point of view. Examples of application will be given for different molecule types, from biomolecules to pharmacological drugs. A special emphasis is given to cyclic lipopeptides since they are interesting molecules in the scope of this review by combining a peptidic moiety and a lipidic tail and by exerting their activity via specific interactions with the plasma membrane. [less ▲]

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See detailMembrane interactions of cyclic lipodepsipeptides from the viscosin group
Geudens, Niels; Feher, Krisztina; De Vleeschouwer et al

Poster (2014, June)

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See detailMolecular dynamic simulation of the cyclic lipodepsipeptide Pseudodesmin A self-assembly
Crowet, Jean-Marc ULg; Sinnaeve, Davy; Fehér, Krisztina et al

Conference (2014, February 10)

Pseudodesmine A is a cyclic lipodepsipeptide of nine residues which presents a moderate antibacterial activity and whose structure has been resolved by X-ray and NMR1,2. In acetonitrile, Pseudodesmine A ... [more ▼]

Pseudodesmine A is a cyclic lipodepsipeptide of nine residues which presents a moderate antibacterial activity and whose structure has been resolved by X-ray and NMR1,2. In acetonitrile, Pseudodesmine A is monomeric while in chloroform it has the same structure but assemble in a supramolecular complex. This structure could associate with membranes and be responsible of the biological activity of this peptide. Comparison of the NMR data between the two solvents has given indications on the intermolecular contacts that arise in chloroform and a model for the self association was proposed2,3. To study in more details this assembly, molecular dynamics have been carried on. In acetonitrile, the peptide show transient interactions while in chlorofom interactions between monomers was always observed. As stated in Sinnaeve et al. in 2009, these interactions arise mainly between the backbone protons of the LEU1 and the GLN2, the GLN2 sidechain and the loop located on the opposite end of the monomer structure. From 10 simulations of dimerization, hydrogen bonds were followed and specific interaction patterns were identified regarding the hydrogen bonds formed. The peptide interactions are mainly described by 13 interaction patterns; 8 with the peptides in a linear configuration, 1 perpendicular and 4 with peptides side by side. The patterns are characterized by 2 to 4 hydrogen bonds. From the linear dimer, it is possible to reconstruct filaments and, by combining a linear and a lateral dimer, it is possible to build fibrils with multi filaments, as expected in the NMR derived model. Besides, the perpendicular dimer can gives peptide rings that can also explain the potential ability of this peptide to form ion pores in membranes. 1. Sinnaeve, D., Michaux, C., Van hemel, J., Vandenkerckhove, J., Peys, E., Borremans, F. a. M., Sas, B., Wouters, J. and Martins, J. C. Tetrahedron 2009, 65, 4173–4181. 2. Sinnaeve, D., Hendrickx, P. M. S., Van Hemel, J., Peys, E., Kieffer, B. and Martins, J. C. Chemistry (Weinheim an der Bergstrasse, Germany) 2009, 15, 12653–62. 3. Sinnaeve, D., Delsuc, M.-A., Martins, J. C. and Kieffer, B. Chemical Science 2012, 3, 1284. [less ▲]

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See detailInteractions between new phenolic glycolipids and model membrane
Sainvitu, Pauline ULg; Nasir, Mehmet Nail ULg; Crowet, Jean-Marc ULg et al

Poster (2014, February 07)

Model membrane based on phospholipids (PL) layers are useful to mimic properties of plasma membranes. The interactions between new synthesized phenolic glycolipids (PGL) and biological membrane are ... [more ▼]

Model membrane based on phospholipids (PL) layers are useful to mimic properties of plasma membranes. The interactions between new synthesized phenolic glycolipids (PGL) and biological membrane are crucial to determine their potential as drug candidates and their cytotoxicity . [less ▲]

Detailed reference viewed: 37 (4 ULg)
See detailSimulations of a beta amphiphilic peptide as potential surfactant of membrane proteins
Crowet, Jean-Marc ULg; Dony, Nicolas ULg; Deschamps, Antoine et al

Poster (2014, February 07)

The peptide studied here was designed to form beta amphiphilic films with the aim to stabilize purified membrane proteins. This interaction has notably been followed by FRET. Hydrophobic and hydrophilic ... [more ▼]

The peptide studied here was designed to form beta amphiphilic films with the aim to stabilize purified membrane proteins. This interaction has notably been followed by FRET. Hydrophobic and hydrophilic residues are alternate and positively and negatively charged residues place respectively at the start end the end of the peptide. The peptide has been studied by atomistic and coarse grained molecular dynamics in water, chloroform and mixed solutions. The peptide was observed to spontaniously form beta films at the chloroform water interface. Moreover, when we simulate the interaction of this peptide with a membrane protein and with a membrane protein in a micelle of dodecylphosphocholine. The peptide was observed to form beta films at the membrane protein surface and even remove surfactants from the membrane protein surface. The simulations confirms the behaviour of this peptide observed in vitro and shows that it could be used instead of detergents. [less ▲]

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See detailInteractions of a potential plant elicitor mannolipid with plant model membranes
Polo Lozano, Damien ULg; Lins, Laurence ULg; Ongena, Marc ULg et al

Poster (2014, February 07)

The use of chemical pesticides causes problems for human health and environment. In this context, there is an increasing interest for alternative products such as biopesticides. Among them, elicitors act ... [more ▼]

The use of chemical pesticides causes problems for human health and environment. In this context, there is an increasing interest for alternative products such as biopesticides. Among them, elicitors act on the plants by inducing systemic resistance against diseases caused by fungal, viral, bacterial agents and insects. The target of the elicitors is supposed to be the plant plasma membranes (PPM). The main mechanisms of interaction of many elicitors involve proteic receptors but lipid-based elicitors (LBE) may preferably interact with the lipidic fractions of PPM. However there is no detailed information at the molecular level on the PPM-LBE interactions. Our work is focused on a original synthetic LBE composed of a mannoside linked to a myristic acid. It has potential elicitor activities as shown by the assays on tobacco root cells. These activities could be related to its interaction with the lipidic phase of PPM. Since PPM are complex entities, the analyses of the PPM- molecule interactions are quite difficult. In this context, these interactions were carried out using biomimetic membranes of PPM such as Langmuir monolayers and multilayers. The effects of our molecule on these membranar systems were investigated by biophysical and in silico approaches. [less ▲]

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See detailNew alternatives to chemical pesticides: deciphering the action mechanisms of lipid based plant elicitors via complementary biophysical and biological approaches.
Nasir, Mehmet Nail ULg; Polo Lozano, Damien ULg; Luzuriaga Loaiza, Walter ULg et al

Poster (2014, February)

Nowadays, many health and environmental problems are caused by the use of chemical pesticides. In this context, an increasing demand for alternative products such as biopesticides has been observed. Among ... [more ▼]

Nowadays, many health and environmental problems are caused by the use of chemical pesticides. In this context, an increasing demand for alternative products such as biopesticides has been observed. Among biopesticides, elicitor molecules which are able to trigger immune defense responses in plants are one of the most promising options. Although numerous elicitors have been discovered, the mechanisms involved in the perception, by plants, of only a few molecules have been identified. These elicitors usually interact with proteic receptors but we have recently shown that they may also act on the lipid phase of the plasma membrane. This project first aims to improve our understanding of the molecular mechanisms involved in the recognition of specific lipid based elicitors (LBE). On that basis, the FIELD project will contribute to the design and the development of innovative compounds derived natural LBE. A multi-disciplinary approach, based on chemistry, bio-physics, bio-chemistry, and phytopathology will be followed by a consortium of different research groups from Gembloux Agro-Bio Tech in close collaboration with teams from foreign institutions. [less ▲]

Detailed reference viewed: 41 (5 ULg)
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See detailExploration on structure activity relation of natural, self-assembling cyclic lipodepsipeptides
Geudens, Niels; Feher, Kristina; De Vleeschouwer, Matthias et al

Poster (2014, February)

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See detailSpectroscopic analysis of the remorin-lipid interactions at the moleculaer level
Nasir, Mehmet Nail ULg; Perraki, Artemis; Mongrand, Sébastien et al

Poster (2014)

Detailed reference viewed: 37 (8 ULg)
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See detailSAHBNET, An Accessible Surface-Based Elastic Network to Insert a Protein in a Complex Lipid Membrane
Dony, Nicolas ULg; Crowet, Jean-Marc ULg; Joris, Bernard ULg et al

Conference (2013, November 11)

Study of membrane proteins have become one of the most challenging fields in biology. Solving their structure is one important step toward the understanding of their physiological activity but despite the ... [more ▼]

Study of membrane proteins have become one of the most challenging fields in biology. Solving their structure is one important step toward the understanding of their physiological activity but despite the recent advances in membrane protein crystallization, it represents less than 1 % of the entries in the Protein Data Bank. Therefore, calculation methods to study membrane proteins are helpful to complement experimental studies and fill the gap between the information obtained from the sequence and/or structure, the experimental results and the biological activity. Molecular Dynamics is a method of choice for membrane simulations and the rising of coarse-grained forcefields has opened the way to longer simulations with reduced calculations times. However, these approaches have two main drawbacks, the preparation of complex systems and the preservation of the 3D protein structure, which is not trivial in coarse grained approach. To circumvent these problems, we propose to use a modified version of the Gromacs tool genbox to easily insert lipids and a network based on hydrogen bonds and accessible surface to maintain the protein 3D structure. This protocol is available through a website (gcgs.gembloux.ulg.ac.be). [less ▲]

Detailed reference viewed: 19 (5 ULg)