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Abstract
Fibrinogen is one of the key proteins that participate in the protein corona composition of many types of nanoparticles (NPs), and its conformational changes are crucial for activation of immune systems. Recently, we demonstrated that the fibrinogen highly contributed in the protein corona composition at the surface of zeolite nanoparticles. Therefore, understanding the interaction of fibrinogen with zeolite nanoparticles in more details could shed light of their safe applications in medicine. Thus, we probed the molecular interactions between fibrinogen and zeolite nanoparticles using both experimental and simulation approaches. The results indicated that fibrinogen has a strong and thermodynamically favorable interaction with zeolite nanoparticles in a non-cooperative manner. Additionally, fibrinogen experienced a substantial conformational change in the presence of zeolite nanoparticles through a concentration-dependent manner. Simulation results showed that both E- and D-domain of fibrinogen are bound to the EMT zeolite NPs via strong electrostatic interactions, and undergo structural changes leading to exposing normally buried sequences. D-domain has more contribution in this interaction and the C-terminus of γ chain (γ377–394), located in D-domain, showed the highest level of exposure compared to other sequences/residues.
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1 Kermanshah University of Medical Sciences, Nano Drug Delivery Research Center, Kermanshah, Iran (GRID:grid.412112.5) (ISNI:0000 0001 2012 5829); Kermanshah University of Medical Sciences, Pharmacutical Sciences Research Center, Kermanshah, Iran (GRID:grid.412112.5) (ISNI:0000 0001 2012 5829)
2 Institute for Nanoscience and Nanotechnology and Center of Excellence in Complex Systems and Condensed Matter (CSCM), Sharif University of Technology, Tehran, Iran (GRID:grid.412553.4) (ISNI:0000 0001 0740 9747)
3 University of Tehran, Institute of Biochemistry and Biophysics, Tehran, Iran (GRID:grid.46072.37) (ISNI:0000 0004 0612 7950)
4 Kermanshah University of Medical Sciences, Pharmacutical Sciences Research Center, Kermanshah, Iran (GRID:grid.412112.5) (ISNI:0000 0001 2012 5829)
5 Kermanshah University of Medical Sciences, Nano Drug Delivery Research Center, Kermanshah, Iran (GRID:grid.412112.5) (ISNI:0000 0001 2012 5829); Kermanshah University of Medical Sciences, Pharmacutical Sciences Research Center, Kermanshah, Iran (GRID:grid.412112.5) (ISNI:0000 0001 2012 5829); University of Tehran, Institute of Biochemistry and Biophysics, Tehran, Iran (GRID:grid.46072.37) (ISNI:0000 0004 0612 7950)
6 Sharif University of Technology, P. O. Box 11155-9161, Department of Physics, Tehran, Iran (GRID:grid.412553.4) (ISNI:0000 0001 0740 9747); Sharif University of Technology, Center of Excellence in Complex Systems and Condensed Matter (CSCM), Tehran, Iran (GRID:grid.412553.4) (ISNI:0000 0001 0740 9747)
7 University of Tehran, School of Biology College of Science, Tehran, Iran (GRID:grid.46072.37) (ISNI:0000 0004 0612 7950)
8 Pennsylvania State University, Department of Chemical Engineering, University Park, United States (GRID:grid.29857.31) (ISNI:0000 0001 2097 4281)
9 School of Advanced Technologies in Medicine (SATiM), Tehran University of Medical Sciences, Department of Medical Nanotechnology, Tehran, Iran (GRID:grid.411705.6) (ISNI:0000 0001 0166 0922)
10 Universiti Sains Malaysia, School of Chemical Sciences, Gelugor, Malaysia (GRID:grid.11875.3a) (ISNI:0000 0001 2294 3534)
11 University of Caen, CNRS, 6 Boulevard du Marechal Juin, Laboratory of Catalysis and Spectroscopy, ENSICAEN, Caen, France (GRID:grid.412043.0) (ISNI:0000 0001 2186 4076)
12 Bushehr University of Medical Sciences, Persian Gulf Marine Biotechnology Research Center, the Persian Gulf Biomedical Sciences Research Institute, Bushehr, Iran (GRID:grid.411832.d)
13 Tehran University of Medical Sciences, Nanotechnology Research Center, Faculty of Pharmacy, Department of Pharmaceutical Nanotechnology, Faculty of Pharmacy, Tehran, Iran (GRID:grid.411705.6) (ISNI:0000 0001 0166 0922)
14 Royan Institute for Stem Cell Biology and Technology, ACECR, Department of Brain and Cognitive Sciences, Cell Science Research Center, Tehran, Iran (GRID:grid.419336.a) (ISNI:0000 0004 0612 4397)
15 Bushehr University of Medical Sciences, Persian Gulf Marine Biotechnology Research Center, the Persian Gulf Biomedical Sciences Research Institute, Bushehr, Iran (GRID:grid.411832.d); Tehran University of Medical Sciences, Non-Communicable Diseases Research Center, Endocrinology and Metabolism Population Sciences Institute, Tehran, Iran (GRID:grid.411705.6) (ISNI:0000 0001 0166 0922)
16 Harvard Medical School, Boston, Department of Anesthesiology, Brigham and Women’s Hospital, Massachusetts, United States (GRID:grid.38142.3c) (ISNI:000000041936754X)