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Modelling the mechanisms of nanoparticle-lipid interactions and nanoparticle effects on cell membrane structure and function

Cel

The central goal of our proposal is to develop physically justified models and computational tools to quantitatively describe and understand the molecular mechanisms of nanoparticle-cell membrane interactions, which we consider to be a crucial point in any predictive model of nanoparticle toxicity. We consider mechanisms of nanoparticle protein corona formation, the protective function of the membrane, nanoparticle uptake into the cell, and the effect of nanoparticles on the cell membrane. We plan to develop a consistent multiscale simulation scheme starting from nanoparticle-biomolecule interaction at the atomistic scale using molecular dynamics simulation, and then systematically constructing coarse-grained mesoscale models for simulating the structure and dynamics of the cell membrane perturbed by nanoparticles at the physiologically relevant time and length scales. We will develop and test a universal method for evaluating the rates of nanoparticle translocation through membranes and evaluate associated specific toxicity effects. Based on the information acquired from the simulations and analyzed together with available experimental data, the toxicological impact will be deduced. We will apply our approach to a range of common engineered nanoparticles, relating their physicochemical properties such as size and shape, surface charge, hydrophobicity (logP), and plasma protein binding affinity to the toxicological effects and develop a test suite allowing to make toxicity prediction on the basis of purely computational or limited in vitro screening tests.

Zaproszenie do składania wniosków

FP7-NMP-2012-SMALL-6
Zobacz inne projekty w ramach tego zaproszenia

Koordynator

UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN
Adres
Belfield
4 Dublin
Irlandia
Rodzaj działalności
Higher or Secondary Education Establishments
Wkład UE
€ 355 180
Kontakt administracyjny
Vladimir Lobaskin (Dr.)

Uczestnicy (3)

STOCKHOLMS UNIVERSITET
Szwecja
Wkład UE
€ 284 095
Adres
Universitetsvagen 10
10691 Stockholm
Rodzaj działalności
Higher or Secondary Education Establishments
Kontakt administracyjny
Daniel Emanuelsson (Mr.)
IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY AND MEDICINE
United Kingdom
Wkład UE
€ 299 989
Adres
South Kensington Campus Exhibition Road
SW7 2AZ London
Rodzaj działalności
Higher or Secondary Education Establishments
Kontakt administracyjny
Brooke Alasya (Ms.)
INSTITUTE OF BIOLOGY OF KARELIAN RESARCH CENTRE RUSSIAN ACADEMY OF SCIENCES
Rosja
Wkład UE
€ 60 546
Adres
Pushkinskaya Street 11
185910 Petrozavodsk Republic Of Karelia
Rodzaj działalności
Research Organisations
Kontakt administracyjny
Alexander Rabinovich (Prof.)