versión On-line ISSN 0718-0764
GRIS, Javier H; DRAGONETTI, Martín A; FERNANDEZ, Beatriz M y MOGLIONI, Albertina G. Molecular Modelling and Docking Studies of Antiinflammatory Derivatives of 4-Hydroxi, 1,2-Benzothiazine 1,1-Dioxide. Inf. tecnol. [online]. 2009, vol.20, n.4, pp. 51-61. ISSN 0718-0764. http://dx.doi.org/10.4067/S0718-07642009000400007.
This work points to visualize by computer methods, the way of interaction of oxicanes with ciclooxygenasa, in order to propose a mechanism of action at molecular level, nowadays unknown, and to recognize the functional groups indispensable for analgesic and anti-inflammatory action. The conformacional space was explored and docking of meloxicam, piroxicam, lornoxicam, normeloxicam and 4`meloxicam was performed using the program Flex X. Oxicams present a mode of union to ciclooxigenasa similar to other nonsteroidal anti-inflammatory drugs (NSAIDs), although they show certain significant differences. It is observed that very small structural modifications determine drastic modifications in the selectivity by ciclooxygenasa isoforms.
Palabras clave : cyclooxygenase; oxicams; meloxicam; molecular modelling; docking.