Theoretical studies on RNA recognition by Musashi 1 RNA-binding protein
In this contribution we study the association complexes of the RNA-binding protein Musashi 1 (MSI1) with different RNA motifs, using molecular dynamics simulations
The RNA-binding protein Musashi1 (MSI1) is involved in the maintenance and self-renewal of neuronal progenitor and stem cells. Alongside its endogenous role, it has been shown to enhance the replication of Zika virus (ZIKV), suggesting a crucial role of MSI1:RNA complexes in ZIKV-induced neurotropism.
This paper uses computational modeling to study association complexes of the RNA-binding protein Musashi 1 (MSI1) with different target RNAs. MSI1 has two RNA-binding domains that exhibit different affinities to bind single-stranded #RNA molecules. Here, we investigate MSI1:RNA complexes using different RNA pentamer motifs, employing molecular dynamics simulations with binding free energy calculations. Understanding these RNA-protein complexes is important to explain MSI1-mediated congenital neuropathology, such as microcephaly.
Joint work with Thanyada Rungrotmongkol and Nitchakan Darai (Chulalongkorn University), as well as Peter Wolschann (Universität Wien)
Figures and Data
Theoretical studies on RNA recognition by Musashi 1 RNA–binding protein
Nitchakan Darai, Panupong Mahalapbutr, Peter Wolschann, Vannajan Sanghiran Lee, Michael T. Wolﬁnger, Thanyada Rungrotmongkol
Sci. Rep. 12:12137 (2022) | doi:10.1038/s41598-022-16252-w | PDF