Biological Activity of Compounds Exhibiting Local Anesthetics’s Properties Evaluated by QSAR Approach
Leszek Bober, Piotr Kawczak and Tomasz BaczekAffiliation:
POPLPHARMA SA Pharmaceutical Works, Starogard Gdański, Poland.
AbstractA 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.
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