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The passage of therapeutic molecules across the Blood Brain Barrier (BBB) is a profound challenge for
the management of the Central Nervous System (CNS)-related diseases. The ineffectual nature of
traditional treatments for CNS disorders led to the abundant endeavor of researchers for the design the
effective approaches in order to bypass BBB during recent decades. Cell Penetrating Peptides (CPPs)
found to be as one of the promising strategies to manage the CNS disorders. CPPs are short peptide
sequences with translocation capacity across the biomembrane. With special regard to their two key
advantages like superior permeability as well as low cytotoxicity, these peptide sequences represent an
appropriate solution to promote therapeutic/theranostic delivery into the CNS. This scenario highlights
CPPs with specific emphasis on their applicability as a novel theranostic delivery system into the brain
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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