Document Detail


Chemometrical study of the anaesthetical activity of alkoxyphenylcarbamic acid esters.
MedLine Citation:
PMID:  20383935     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
Several chemometrical techniques were applied to elucidate anaesthetical activity of hydrochlorides of alkoxyphenylcarbamic acid esters. The studied five types of esters contained morpholin-4-ylethyl-, piperidin-1-ylethyl-, piperidin-1-ylpropyl-, azepan-1-ylethyl- and dimethylaminoethyl- groups. The surface anaesthetical activity, designated by A, and the infiltration anaesthetical activity, indicated by B, were correlated to lipophilicity, expressed in different ways--using (a) the logarithm of 1-octanol-water partition coefficient, log P, (b) the logarithm of the HPLC retention factor, log k, (c) the length of the side alkoxy chain represented by the number of carbon atoms, n, (d) molar mass, M. Principal component analysis and cluster analysis were used for close characterization of alkoxyphenylcarbamic acid esters as the potential anaesthetics, and techniques of discrimination analysis were used for predicting the extent of both types of anaesthetic activity. Artificial neural networks were successful in predicting surface anaesthetical activity but prediction of infiltration anaesthetical activity was far less favourable.
Authors:
T Durcekova; J Mocak; J Lehotay; J Cizm?rik; K Boronova
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  Die Pharmazie     Volume:  65     ISSN:  0031-7144     ISO Abbreviation:  Pharmazie     Publication Date:  2010 Mar 
Date Detail:
Created Date:  2010-04-13     Completed Date:  2010-05-19     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9800766     Medline TA:  Pharmazie     Country:  Germany    
Other Details:
Languages:  eng     Pagination:  169-74     Citation Subset:  IM    
Affiliation:
Department of Chemistry, University of Ss. Cyril and Methodius, Trnava, Slovakia.
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MeSH Terms
Descriptor/Qualifier:
Anesthetics / chemistry*,  pharmacology*
Antitubercular Agents / chemistry,  pharmacology
Carbamates / analysis*
Cluster Analysis
Esters
Magnetic Resonance Spectroscopy
Microbial Sensitivity Tests
Mycobacterium tuberculosis / drug effects
Neural Networks (Computer)
Principal Component Analysis
Software
Chemical
Reg. No./Substance:
0/Anesthetics; 0/Antitubercular Agents; 0/Carbamates; 0/Esters

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


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