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Characterization Of BBB Crossing And TH Peptides By MD Simulations- Video Abstract ID 225793

Dove Medical Press
35.5K subscribers
306 views 5 years ago
Video abstract of original research paper “Characterization Of Blood–Brain Barrier Crossing And Tumor Homing Peptides By Molecular Dynamics Simulations” published in the open access journal International Journal of Nanomedicine by Arcangeli C, Lico C, Baschieri S, et al. Introduction: The new frontier of tumor diagnosis and treatment relies on the development of delivery strategies capable of allowing the specific targeting of the diagnostic agents/chemotherapeutics, avoiding side effects. In the case of brain tumors, achieving this goal is made more difficult by the presence of the blood–brain barrier (BBB). Peptides have been revealed as excellent candidates for both BBB crossing and specific cancer homing. Nanoparticles (NPs), functionalized with BBB crossing and tumor homing (TH) peptides, are emerging as smart theranostic systems. However, there is still poor knowledge concerning the molecular structure and dynam …...more
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Characterization Of BBB Crossing And TH Peptides By MD Simulations- Video Abstract ID 225793
8Likes
306Views
2019Dec 29
Video abstract of original research paper “Characterization Of Blood–Brain Barrier Crossing And Tumor Homing Peptides By Molecular Dynamics Simulations” published in the open access journal International Journal of Nanomedicine by Arcangeli C, Lico C, Baschieri S, et al. Introduction: The new frontier of tumor diagnosis and treatment relies on the development of delivery strategies capable of allowing the specific targeting of the diagnostic agents/chemotherapeutics, avoiding side effects. In the case of brain tumors, achieving this goal is made more difficult by the presence of the blood–brain barrier (BBB). Peptides have been revealed as excellent candidates for both BBB crossing and specific cancer homing. Nanoparticles (NPs), functionalized with BBB crossing and tumor homing (TH) peptides, are emerging as smart theranostic systems. However, there is still poor knowledge concerning the molecular structure and dynamical properties of these peptides, essential requirements for a suitable functionalization of the delivery systems themselves. Methods: In this work, by means of molecular dynamics (MD) simulations, we have extensively characterized the structural and dynamical behavior of several peptides, known to be endowed of BBB crossing and TH properties. Results: The simulations point out that, on the basis of their conformational dynamics, the peptides can be classified in two main groups: 1) peptides assuming a specific structural conformation, a feature that could be important for interacting with the molecular target but that may limit their use as functionalizing molecules and 2) highly flexible peptides whose interaction with the target may be independent of a particular structural conformation and that may represent good candidates for the functionalization of theranostic NP-based platforms. Discussion: Such findings may be useful for the de novo designing of NP-based delivery systems. Read the full paper here https://www.dovepress.com/characteriz...

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Dove Medical Press

35.5K subscribers