From virtual to clinical: The discovery of PGN-1531, a novel antagonist of the prostanoid EP 4 receptor

J Sutton, DE Clark, C Higgs, MJ de Groot…

Index: Sutton, Jon; Clark, David E.; Higgs, Christopher; De Groot, Marcel J.; Harris, Neil V.; Taylor, Andrea; Lockey, Peter M.; Maubach, Karen; Woodrooffe, Amanda; Davis, Richard J.; Coleman, Robert A.; Clark, Kenneth L. Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 9 p. 2212 - 2221

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Citation Number: 5

Abstract

Abstract In this Letter, we present the results of a hit-finding and lead optimization programme against the EP 4 receptor (EP 4 R). In a short time period, we were able to discover five structurally diverse series of hit compounds using a combination of virtual screening methods. The most favoured hit, compound 6, was demonstrated to be a competitive antagonist of the EP 4 R. Compound 73 was identified following several ...