Computer-aided optimization of phosphinic inhibitors of bacterial ureases

…, P Kosikowska, A Grabowiecka, A Yiotakis…

Index: Vassiliou, Stamatia; Kosikowska, Paulina; Grabowiecka, Agnieszka; Yiotakis, Athanasios; Kafarski, Pawe; Berlicki, Lukasz Journal of Medicinal Chemistry, 2010 , vol. 53, # 15 p. 5597 - 5606

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Citation Number: 39

Abstract

Urease inhibitors can be considered as a tool to control the damaging effect of ureolytic bacteria infections in humans which occur commonly in the developed countries. Computer- aided optimization of the aminomethylphosphinate structures by modifying both their N-and P-termini led to the invention of a novel group of inhibitors of bacterial ureases. Introduction of P-hydroxymethyl group into the molecule resulted in considerable increase of the ...