Building bridges between specialists on computational and empirical risk assessment of engineered nanomaterials

Magda Mozelewska (UG) at Jackson State University (ICN)

100_6261_small_MMMy journey to Jackson State University, Jackson, Mississippi, USA was between 17th January and 19th May 2014. I was visited Prof. Jerzy Leszczyński group: Interdisciplinary Center for Nanotoxicity. During this visit I was working on WP3: Development of novel structural descriptors for nanoparticles. The international collaboration is very important to expand our ability, get new experience and meet wonderful people.

During the visit I was working on interaction of TLR receptors with carbon nanotubes. Toll–like receptors (TLR) are a group of proteins which play a crucial role in the innate immune system. Modern goal of medicine is to create the better drugs and carriers for them. The most current idea is to use as a carrier the up-to-date materials like nanotubes. However, because nanotubes can interact with some proteins in organisms, major attention in focused on immunotoxicity caused by nanoparticles like nanotubes. My studies may can help with answer if it would be safe to use nanotubes as drug carriers.

I was able to do the parameterization of nanotube, MD simulations for TLR2 receptor and TLR1/TLR2 complex, SMD simulations both systems with nanotube and performed analysis of the interactions between binding pockets and a nanotube.

It was great opportunity to learn new skills, use new software, see things from other perspective during discussion with scientists from Jackson State University. It was great opportunity to work with Prof. Jerzy Leszczyński, Dr. Bakhtiyor Rasulev and Dr. Julia Saloni. I want to thank them for discussions and given clues in my research. I would also like to thank Dr. Shonda Allen for help and assistance. I am convinced that we will keep in touch to continue our collaboration.


University of Gdansk
Faculty of Chemistry
ul. Wita Stwosza 63
80-952 Gdansk

European Commision