Partition of thermodynamic energies of drug-DNA complexation
Research output: Contribution to journal › Research article › Contributed › peer-review
Contributors
Abstract
We report a computation methodology, which leads to the ability to partition the Gibb's free energy for the complexation reaction of aromatic drug molecules with DNA. Using this approach, it is now possible to calculate the absolute values of the energy contributions of various physical factors to the DNA binding process, whose summation gives a value that is reasonably close to the experimentally measured Gibb's free energy of binding. Application of the methodology to binding of various aromatic drugs with DNA provides an answer to the question "What forces are the main contributors to the stabilization of aromatic ligand-DNA complexes?"
Details
Original language | English |
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Pages (from-to) | 773-790 |
Number of pages | 18 |
Journal | Biopolymers |
Volume | 91 |
Issue number | 9 |
Publication status | Published - 2009 |
Peer-reviewed | Yes |
External IDs
PubMed | 19402145 |
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ORCID | /0000-0002-2335-0260/work/142246477 |
Keywords
ASJC Scopus subject areas
Keywords
- Aromatic intercalator, Drug-DNA complexation, Gibb's free energy, Parsing of the energy