DENISA-CONSTANTINA AMZOIU, ANCA-MIHAELA (BULEARCA) STOIAN, EMILIA AMZOIU, GABRIELA RAU Study Concerning the Inhibitory Activity Upon Myeloperoxidase of Some Oxicams Class Derivatives Using the Docking Molecular Technique

DENISA-CONSTANTINA AMZOIU, ANCA-MIHAELA (BULEARCA) STOIAN, EMILIA AMZOIU, GABRIELA RAU
Study Concerning the Inhibitory Activity Upon Myeloperoxidase
of Some Oxicams Class Derivatives Using the Docking
Molecular Technique

Abstract:

“Molecular docking” was an useful tool for selecting potential therapeutic agents. This technique allowed assessment of the proper way for bonding a ligand molecule inside the active site of the biological receptor and moreover enabled the evaluation of minimum bonding energy. The method was used for testing some nonsteroidal anti-inflammatory drugs from the oxicam class (meloxicam, piroxicam and tenoxicam), as potential inhibitors of myeloperoxidase (MPO). Net charges distributed on the atoms from the studied molecules, which have appeared as result of the chemical bonds formation, gave information about the nature and the reactivity of the atoms from each molecule. They also indicated the atoms that contributed in the formation of the biological response of the substances studied class. In the present study, the results have shown that meloxicam represented the best inhibitory agent of myeloperoxidase because Meloxicam-MPO had the lowest energy value. Keywords: molecular docking, oxicams, myeloperoxidase, inhibitors, NSAIDs

Issue: 2015, Volume 66, Issue 12

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