Tautomerism in drug discovery

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 p...

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Bibliographic Details
Published in:	Journal of computer-aided molecular design Vol. 24; no. 6-7; pp. 475 - 484
Main Authors:	Katritzky, Alan R., Hall, C. Dennis, El-Gendy, Bahaa El-Dien M., Draghici, Bogdan
Format:	Journal Article
Language:	English
Published:	Dordrecht Springer Netherlands 01-06-2010 Springer Nature B.V
Subjects:	Animal Anatomy Biology Chemistry Chemistry and Materials Science Computer aided design Computer Applications in Chemistry Design engineering Drug Discovery Drugs Heterocyclic Compounds - chemistry Histology Hydrogen-Ion Concentration Isomerism Molecular structure Morphology Pharmaceutical Preparations - chemistry Physical Chemistry Polarity Solvents Thermodynamics Energetics Drugs Heterocycles Tautomerism Biological processes
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Summary:	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.
Bibliography:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 ObjectType-Article-2 ObjectType-Feature-1
ISSN:	0920-654X 1573-4951
DOI:	10.1007/s10822-010-9359-z