Tautomerism in drug discovery

Alan R Katritzky; C Dennis Hall; Bahaa El-Dien M El-Gendy; Bogdan Draghici

doi:10.1007/s10822-010-9359-z

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Journal article

Peer reviewed

Tautomerism in drug discovery

Alan R Katritzky, C Dennis Hall, Bahaa El-Dien M El-Gendy and Bogdan Draghici

Journal of computer-aided molecular design, Vol.24(6-7), pp.475-484

01/06/2010

DOI: https://doi.org/10.1007/s10822-010-9359-z

PMID: 20490619

Abstract

Drug Discovery

Heterocyclic Compounds - chemistry

Hydrogen-Ion Concentration

Isomerism

Pharmaceutical Preparations - chemistry

Thermodynamics

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.

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Details

Title: Tautomerism in drug discovery
Creators - without role: Alan R Katritzky - University of Florida
C Dennis Hall - University of Florida
Bahaa El-Dien M El-Gendy
Bogdan Draghici - University of Florida
Publication Details: Journal of computer-aided molecular design, Vol.24(6-7), pp.475-484
Identifiers: 9939534308331
Academic Unit: King Abdulaziz University
Language: English
Resource Type: Journal article