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

Tautomerism in drug discovery

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

Research output: Contribution to journal › Review article › peer-review

133 Scopus citations

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.

Original language	English
Pages (from-to)	475-484
Number of pages	10
Journal	Journal of Computer-Aided Molecular Design
Volume	24
Issue number	6-7
DOIs	https://doi.org/10.1007/s10822-010-9359-z
State	Published - Jun 2010

Keywords

Biological processes
Drugs
Energetics
Heterocycles
Tautomerism

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10.1007/s10822-010-9359-z

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title = "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.",

keywords = "Biological processes, Drugs, Energetics, Heterocycles, Tautomerism",

author = "Katritzky, {Alan R.} and {Dennis Hall}, C. and El-Gendy, {Bahaa El Dien M.} and Bogdan Draghici",

year = "2010",

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T1 - Tautomerism in drug discovery

AU - Katritzky, Alan R.

AU - Dennis Hall, C.

AU - El-Gendy, Bahaa El Dien M.

AU - Draghici, Bogdan

PY - 2010/6

Y1 - 2010/6

N2 - 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.

AB - 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.

KW - Biological processes

KW - Drugs

KW - Energetics

KW - Heterocycles

KW - Tautomerism

UR - http://www.scopus.com/inward/record.url?scp=77955716928&partnerID=8YFLogxK

U2 - 10.1007/s10822-010-9359-z

DO - 10.1007/s10822-010-9359-z

M3 - Review article

C2 - 20490619

AN - SCOPUS:77955716928

SN - 0920-654X

VL - 24

SP - 475

EP - 484

JO - Journal of Computer-Aided Molecular Design

JF - Journal of Computer-Aided Molecular Design

IS - 6-7

ER -

Tautomerism in drug discovery

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Keywords

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