Literature DB >> 9372601

Interactions of some PGHS-2 selective inhibitors with the PGHS-1: an automated docking study by BioDock.

A Pedretti1, A M Villa, L Villa, G Vistoli.   

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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Year:  1997        PMID: 9372601

Source DB:  PubMed          Journal:  Farmaco        ISSN: 0014-827X


  2 in total

1.  Automated docking and molecular dynamics simulations of nimesulide in the cyclooxygenase active site of human prostaglandin-endoperoxide synthase-2 (COX-2).

Authors:  R García-Nieto; C Pérez; F Gago
Journal:  J Comput Aided Mol Des       Date:  2000-02       Impact factor: 3.686

2.  Chemometric rationalization of the structural and physicochemical basis for selective cyclooxygenase-2 inhibition: toward more specific ligands.

Authors:  E Filipponi; V Cecchetti; O Tabarrini; D Bonelli; A Fravolini
Journal:  J Comput Aided Mol Des       Date:  2000-03       Impact factor: 3.686

  2 in total

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