Tautomerism in drug discovery
Abstract
The influence of tautomerism on the precise structure of drugs and thus of their potential to interact with biological systems is discussed from thermodynamic and kinetic aspects. The types of tautomerism encountered in the structure of drugs in current use are surveyed together with the effect of pH, solvent polarity, and temperature.
- Publication:
-
Journal of Computer-Aided Molecular Design
- Pub Date:
- June 2010
- DOI:
- 10.1007/s10822-010-9359-z
- Bibcode:
- 2010JCAMD..24..475K
- Keywords:
-
- Tautomerism;
- Heterocycles;
- Energetics;
- Biological processes;
- Drugs