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• W2778974309 abstract "The long-range base pairing between the 5BSL3. 2 and 3'X domains in hepatitis C virus (HCV) genomic RNA is essential for viral replication. Experimental evidence points to the critical role of metal ions, especially Mg2+ ions, in the formation of the 5BSL3.2:3'X kissing complex. Furthermore, NMR studies suggested an important ion-dependent conformational switch in the kissing process. However, for a long time, mechanistic understanding of the ion effects for the process has been unclear. Recently, computational modeling based on the Vfold RNA folding model and the partial charge-based tightly bound ion (PCTBI) model, in combination with the NMR data, revealed novel physical insights into the role of metal ions in the 5BSL3.2-3'X system. The use of the PCTBI model, which accounts for the ion correlation and fluctuation, gives reliable predictions for the ion-dependent electrostatic free energy landscape and ion-induced population shift of the 5BSL3.2:3'X kissing complex. Furthermore, the predicted ion binding sites offer insights about how ion-RNA interactions shift the conformational equilibrium. The integrated theory-experiment study shows that Mg2+ ions may be essential for HCV viral replication. Moreover, the observed Mg2+-dependent conformational equilibrium may be an adaptive property of the HCV genomic RNA such that the equilibrium is optimized to the intracellular Mg2+ concentration in liver cells for efficient viral replication." @default.
• W2778974309 created "2018-01-05" @default.
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• W2778974309 date "2017-12-22" @default.
• W2778974309 modified "2023-09-23" @default.
• W2778974309 title "Theory Meets Experiment: Metal Ion Effects in HCV Genomic RNA Kissing Complex Formation" @default.
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• W2778974309 doi "https://doi.org/10.3389/fmolb.2017.00092" @default.
• W2778974309 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5744182" @default.
• W2778974309 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29312955" @default.
• W2778974309 hasPublicationYear "2017" @default.
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