Enzyme kinetics, structural analysis and molecular modeling studies on a series of Schistosoma mansoni PNP inhibitors

Journal of the Brazilian Chemical Society

Andricopulo, Adriano D¹  Pereira, Humberto M¹  Universidade de São Paulo, São Carlos, Brazil¹  Postigo, Matheus P¹  Universidade Federal da Bahia, Salvador, Brazil¹  Castilho, Marcelo S¹  Krogh, Renata¹  Terni, Marcela F¹  Oliva, Glaucius¹ 

关键词: neglected tropical diseases;    schistosomiasis;    enzyme inhibition;    crystal structure;    binding affinity;   

DOI  :  10.1590/S0103-50532011000300024

学科分类：化学（综合）

来源: SciELO

【 摘 要 】

The enzyme purine nucleoside phosphorylase from Schistosoma mansoni (SmPNP) is an attractive molecular target for the development of novel drugs against schistosomiasis, a neglected tropical disease that affects about 200 million people worldwide. In the present work, enzyme kinetic studies were carried out in order to determine the potency and mechanism of inhibition of a series of SmPNP inhibitors. In addition to the biochemical investigations, crystallographic and molecular modeling studies revealed important molecular features for binding affinity towards the target enzyme, leading to the development of structure-activity relationships (SAR).

【 授权许可】

Unknown