Abstract
Virtual ligand screening (VLS) and structure-based design are strategies that have been routinely used for the development of pharmaceuticals, particularly those targeting enzymes and other protein targets. In recent years, an increased understanding of the role played by nucleic acids in biological systems made DNA an alternative candidate for the development of new drugs. This review highlights some successful applications of molecular modeling in virtual ligand screening and structure-based design of organic and inorganic molecules that target non-canonical nucleic acid structures such as G-quadruplex and triplex DNA.
Original language | English |
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Pages (from-to) | 1252-1266 |
Number of pages | 15 |
Journal | Biochimie |
Volume | 93 |
Issue number | 8 |
Early online date | 19 Apr 2011 |
DOIs | |
Publication status | Published - Aug 2011 |
User-Defined Keywords
- Drug-DNA interactions
- G-quadruplex DNA
- Structure-based design
- Virtual screening