Role and Perspective of Molecular Simulation-Based Investigation of RNA–Ligand Interaction: From Small Molecules and Peptides to Photoswitchable RNA Binding
Abstract
:1. Introduction
2. Targeting RNA Trinucleotide Repeat Expansions: HTT RNA CAG
2.1. RNA-Mediated Toxicity: Aberrant RNA Hairpin–Protein Interactions in HD
2.2. MD Simulations of HTT RNA CAG with Small Molecules
3. Targeting HIV-1 TAR RNA Hairpin
MD Simulations of HIV TAR with Ligands
4. Conclusions and Outlook
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Acknowledgments
Conflicts of Interest
References
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Berdnikova, D.V.; Carloni, P.; Krauß, S.; Rossetti, G. Role and Perspective of Molecular Simulation-Based Investigation of RNA–Ligand Interaction: From Small Molecules and Peptides to Photoswitchable RNA Binding. Molecules 2021, 26, 3384. https://doi.org/10.3390/molecules26113384
Berdnikova DV, Carloni P, Krauß S, Rossetti G. Role and Perspective of Molecular Simulation-Based Investigation of RNA–Ligand Interaction: From Small Molecules and Peptides to Photoswitchable RNA Binding. Molecules. 2021; 26(11):3384. https://doi.org/10.3390/molecules26113384
Chicago/Turabian StyleBerdnikova, Daria V., Paolo Carloni, Sybille Krauß, and Giulia Rossetti. 2021. "Role and Perspective of Molecular Simulation-Based Investigation of RNA–Ligand Interaction: From Small Molecules and Peptides to Photoswitchable RNA Binding" Molecules 26, no. 11: 3384. https://doi.org/10.3390/molecules26113384