CHSJ

Curr Health Sci J, vol. 36, no. 2, 2010

Oxicams Structural Characteristics Determined by Molecular Modeling Methods

[Original paper]

D.C. AMZOIU(1), E. AMZOIU(2), F. POPESCU(3)


(1)Department of Pharmaceutical Chemistry;
(2)Department of Physical Chemistry;
(3)Department of Pharmacology, Faculty of Pharmacy, University of Medicine and Pharmacy of Craiova


Abstract:

Classical nonsteroidal anti-inflammatory drugs (acetylsalicylic acid, ibuprofen, indomethacin) produce side effects like gastrointestinal ulcerations or renal failure. Current studies are trying to find drugs exerting analgesic, antipyretic and anti-inflammatory activity without these side effects. Compounds from oxicam class are included in this category. Physico-chemical properties of these drugs were evaluated with molecular modeling models in order to achieve a characterization of these compounds. This study aims to analyze electronic, atomic or molecular structural factors contributing to the biological action manifested by the compounds of oxicam class. The study showed the contribution of some parameters characteristic of the substances chemical structures on the partition coefficient. To evaluate these molecular descriptors is to show their importance in the partition of the studied substances in both aqueous and lipid phase (1­octanol).


Keywords: oxicams, descriptors, partition coefficient



Corresponding: Denisa-Constantina Amzoiu, University Assistant, PhD candidate, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Medicine and Pharmacy of Craiova, 2-4 Petru Rares Street, 200349 Craiova, Romania; Phone +40251-524 442, e-mail: damzoiu@yahoo.com


DOI 10.12865/CHSJ.36.02.11 - Download PDF
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