The automated stochastic docking procedure BioDock has been applied to a series of inhibitors of PGH synthase, the key enzyme in the synthesis of eicosanoids from arachidonic acid. Some PGHS-2 selective inhibitors have been docked to the structure of the ovine PGHS-1 enzyme, as recently obtained by means of X-ray crystallographic analysis, in order to highlight possible structural bases for selectivity.
Interactions of some PGHS-2 Selective Inhibitors with the PGHS-1: an Automated Docking Study by BioDock / A. Pedretti, A.M. Villa, L. Villa, G. Vistoli. - In: IL FARMACO. - ISSN 0014-827X. - 52:6-7(1997), pp. 487-491.
Interactions of some PGHS-2 Selective Inhibitors with the PGHS-1: an Automated Docking Study by BioDock
A. PedrettiPrimo
;L. VillaPenultimo
;G. VistoliUltimo
1997
Abstract
The automated stochastic docking procedure BioDock has been applied to a series of inhibitors of PGH synthase, the key enzyme in the synthesis of eicosanoids from arachidonic acid. Some PGHS-2 selective inhibitors have been docked to the structure of the ovine PGHS-1 enzyme, as recently obtained by means of X-ray crystallographic analysis, in order to highlight possible structural bases for selectivity.
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