Artikel ; Online: Dynamics and mechanisms of CRISPR-Cas9 through the lens of computational methods.
Current opinion in structural biology
2022 Band 75, Seite(n) 102400
Abstract: The clustered regularly interspaced short palindromic repeat (CRISPR) genome-editing revolution established the beginning of a new era in life sciences. Here, we review the role of state-of-the-art computations in the CRISPR-Cas9 revolution, from the ... ...
Abstract | The clustered regularly interspaced short palindromic repeat (CRISPR) genome-editing revolution established the beginning of a new era in life sciences. Here, we review the role of state-of-the-art computations in the CRISPR-Cas9 revolution, from the early refinement of cryo-EM data to enhanced simulations of large-scale conformational transitions. Molecular simulations reported a mechanism for RNA binding and the formation of a catalytically competent Cas9 enzyme, in agreement with subsequent structural studies. Inspired by single-molecule experiments, molecular dynamics offered a rationale for the onset of off-target effects, while graph theory unveiled the allosteric regulation. Finally, the use of a mixed quantum-classical approach established the catalytic mechanism of DNA cleavage. Overall, molecular simulations have been instrumental in understanding the dynamics and mechanism of CRISPR-Cas9, contributing to understanding function, catalysis, allostery, and specificity. |
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Mesh-Begriff(e) | CRISPR-Associated Protein 9 ; CRISPR-Cas Systems ; DNA Cleavage ; Gene Editing/methods ; Molecular Dynamics Simulation |
Chemische Substanzen | CRISPR-Associated Protein 9 (EC 3.1.-) |
Sprache | Englisch |
Erscheinungsdatum | 2022-06-08 |
Erscheinungsland | England |
Dokumenttyp | Journal Article ; Review ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S. |
ZDB-ID | 1068353-7 |
ISSN | 1879-033X ; 0959-440X |
ISSN (online) | 1879-033X |
ISSN | 0959-440X |
DOI | 10.1016/j.sbi.2022.102400 |
Datenquelle | MEDical Literature Analysis and Retrieval System OnLINE |
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