Computational and Experimental Protocols to Study Cyclo-dihistidine Self- and Co-assembly: Minimalistic Bio-assemblies with Enhanced Fluorescence and Drug Encapsulation Properties

Asuka A. Orr, Yu Chen, Ehud Gazit, Phanourios Tamamis

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

Abstract

Our published studies on the self- and co-assembly of cyclo-HH peptides demonstrated their capacity to coordinate with Zn(II), their enhanced photoluminescence and their ability to self-encapsulate epirubicin, a chemotherapy drug. Here, we provide a detailed description of computational and experimental methodology for the study of cyclo-HH self- and co-assembling mechanisms, photoluminescence, and drug encapsulation properties. We outline the experimental protocols, which involve fluorescence spectroscopy, transmission electron microscopy, and atomic force microscopy protocols, as well as the computational protocols, which involve structural and energetic analysis of the assembled nanostructures. We suggest that the computational and experimental methods presented here can be generalizable, and thus can be applied in the investigation of self- and co-assembly systems involving other short peptides, encapsulating compounds and binding to ions, beyond the particular ones presented here.

Original languageEnglish
Title of host publicationMethods in Molecular Biology
PublisherHumana Press Inc.
Pages179-203
Number of pages25
DOIs
StatePublished - 2022

Publication series

NameMethods in Molecular Biology
Volume2405
ISSN (Print)1064-3745
ISSN (Electronic)1940-6029

Keywords

  • Association free energy
  • Biomaterials
  • Charmm program
  • Drug delivery
  • Electron microscopy
  • Generalized Born
  • Molecular dynamics
  • Nanostructure

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