TY - CHAP
T1 - Computational and Experimental Protocols to Study Cyclo-dihistidine Self- and Co-assembly
T2 - Minimalistic Bio-assemblies with Enhanced Fluorescence and Drug Encapsulation Properties
AU - Orr, Asuka A.
AU - Chen, Yu
AU - Gazit, Ehud
AU - Tamamis, Phanourios
N1 - Publisher Copyright:
© 2022, The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature.
PY - 2022
Y1 - 2022
N2 - 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.
AB - 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.
KW - Association free energy
KW - Biomaterials
KW - Charmm program
KW - Drug delivery
KW - Electron microscopy
KW - Generalized Born
KW - Molecular dynamics
KW - Nanostructure
UR - http://www.scopus.com/inward/record.url?scp=85126975638&partnerID=8YFLogxK
U2 - 10.1007/978-1-0716-1855-4_10
DO - 10.1007/978-1-0716-1855-4_10
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C2 - 35298815
AN - SCOPUS:85126975638
T3 - Methods in Molecular Biology
SP - 179
EP - 203
BT - Methods in Molecular Biology
PB - Humana Press Inc.
ER -