Asset Details
Do you wish to reserve the book?
Computational Design of Macrocyclic Binders of S100B(ββ): Novel Peptide Theranostics
Hey, we have placed the reservation for you!
By the way, why not check out events that you can attend while you pick your title.
Oops! Something went wrong.
Looks like we were not able to place the reservation. Kindly try again later.
Are you sure you want to remove the book from the shelf?
Computational Design of Macrocyclic Binders of S100B(ββ): Novel Peptide Theranostics
Do you wish to request the book?
Computational Design of Macrocyclic Binders of S100B(ββ): Novel Peptide Theranostics
Please be aware that the book you have requested cannot be checked out. If you would like to checkout this book, you can reserve another copy
We have requested the book for you!
Your request is successful and it will be processed during the Library working hours. Please check the status of your request in My Requests.
Oops! Something went wrong.
Looks like we were not able to place your request. Kindly try again later.
Journal Article
Computational Design of Macrocyclic Binders of S100B(ββ): Novel Peptide Theranostics
2021
Overview
S100B(ββ) proteins are a family of multifunctional proteins that are present in several tissues and regulate a wide variety of cellular processes. Their altered expression levels have been associated with several human diseases, such as cancer, inflammatory disorders and neurodegenerative conditions, and hence are of interest as a therapeutic target and a biomarker. Small molecule inhibitors of S100B(ββ) have achieved limited success. Guided by the wealth of available experimental structures of S100B(ββ) in complex with diverse peptides from various protein interacting partners, we combine comparative structural analysis and molecular dynamics simulations to design a series of peptides and their analogues (stapled) as S100B(ββ) binders. The stapled peptides were subject to in silico mutagenesis experiments, resulting in optimized analogues that are predicted to bind to S100B(ββ) with high affinity, and were also modified with imaging agents to serve as diagnostic tools. These stapled peptides can serve as theranostics, which can be used to not only diagnose the levels of S100B(ββ) but also to disrupt the interactions of S100B(ββ) with partner proteins which drive disease progression, thus serving as novel therapeutics.
Publisher
MDPI AG,MDPI
Subject
/ Humans
/ Kinases
/ Melanoma
/ Molecular Dynamics Simulation
/ Peptide Fragments - chemistry
/ Peptide Fragments - genetics
/ Peptides
/ PPI
/ Protein Interaction Maps - genetics
/ Proteins
/ S100 Calcium Binding Protein beta Subunit - chemistry
/ S100 Calcium Binding Protein beta Subunit - genetics
/ S100 Calcium Binding Protein beta Subunit - ultrastructure
/ S100B
