Biological Activity of Compounds Exhibiting Local Anesthetics's Properties Evaluated by QSAR Approach

ISSN: 1875-676X (Online)
ISSN: 1573-4129 (Print)


Volume 10, 4 Issues, 2014


Download PDF Flyer




Current Pharmaceutical Analysis

Aims & ScopeAbstracted/Indexed in


Submit Abstracts Online Submit Manuscripts Online

Editor-in-Chief:
Atta-ur-Rahman, FRS
Honorary Life Fellow
Kings College
University of Cambridge
Cambridge
UK
Email: cpa@benthamscience.org

View Full Editorial Board

Subscribe Purchase Articles Order Reprints

Current: 0.771
5 - Year: 1.107

Biological Activity of Compounds Exhibiting Local Anesthetics's Properties Evaluated by QSAR Approach

Author(s): Piotr Kawczak, Leszek Bober and Tomasz Baczek

Affiliation: Department of Pharmaceutical Chemistry, Medical University of Gdansk, Gdansk 80-416, Poland.

Abstract

A set of 36 compounds with local anesthetics properties and with the literature values of their biological activity was used to search for relationships between structural parameters obtained from semiempirical RM1 method. Ab initio calculations have been done for molecules in vacuo and also for their hydrated form by placing the molecule under consideration in an environment of water molecules. Finally the data examined the biological activity of compounds was related to their structural indicators using multiparametric regression analysis (multiple regression analysis) with a stepwise progressive method and additional artificial neural network analysis. No effect of hydration on the quantitative structure- activity relationships was observed, furthermore, the used set of independent variables (quantum-chemical parameters) derived from semiempirical calculation method described the properties of particles less than that obtained from the ab initio calculations.




Keywords: Local anesthetics, molecular modeling, structural analysis.

Purchase Online Order Reprints Order Eprints Rights and Permissions

  
  



Article Details

Volume: 10
Issue Number: 4
First Page: 255
Last Page: 262
Page Count: 8
DOI: 10.2174/1573412910666140606221310
Advertisement

Related Journals


Webmaster Contact: urooj@benthamscience.org Copyright © 2014 Bentham Science