ChemBioChem article by Carlo, Ioana & Jocelyne

In collaboration with researchers at VU Amsterdam, our group members Carlo Bigiotti, Ioana Ilie and Jocelyne Vreede have published an article in ChemBioChem titled Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF−Y. In this paper, they investigate how truncated stapled α-helical peptides interact with the transcription factor Nuclear Factor-Y. Via molecular dynamics simulations, they confirmed the experimental finding that the C-terminal part of the stapled peptide is relatively flexible while still showing defined interactions with NF−Y. Their findings highlight the importance of flexibility in the bound state of peptides, which can contribute to overall binding affinity.