Enzyme kinetics, structural analysis and molecular modeling studies on a series of Schistosoma mansoni PNP inhibitors
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).
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Sociedade Brasileira de Química
2011
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oai:scielo:S0103-505320110003000242011-03-24Enzyme kinetics, structural analysis and molecular modeling studies on a series of Schistosoma mansoni PNP inhibitorsPostigo,Matheus PKrogh,RenataTerni,Marcela FPereira,Humberto MOliva,GlauciusCastilho,Marcelo SAndricopulo,Adriano D neglected tropical diseases schistosomiasis enzyme inhibition crystal structure binding affinity 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).info:eu-repo/semantics/openAccessSociedade Brasileira de QuímicaJournal of the Brazilian Chemical Society v.22 n.3 20112011-03-01info:eu-repo/semantics/articletext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532011000300024en10.1590/S0103-50532011000300024 |
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Postigo,Matheus P Krogh,Renata Terni,Marcela F Pereira,Humberto M Oliva,Glaucius Castilho,Marcelo S Andricopulo,Adriano D |
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Postigo,Matheus P Krogh,Renata Terni,Marcela F Pereira,Humberto M Oliva,Glaucius Castilho,Marcelo S Andricopulo,Adriano D Enzyme kinetics, structural analysis and molecular modeling studies on a series of Schistosoma mansoni PNP inhibitors |
| author_facet |
Postigo,Matheus P Krogh,Renata Terni,Marcela F Pereira,Humberto M Oliva,Glaucius Castilho,Marcelo S Andricopulo,Adriano D |
| author_sort |
Postigo,Matheus P |
| title |
Enzyme kinetics, structural analysis and molecular modeling studies on a series of Schistosoma mansoni PNP inhibitors |
| title_short |
Enzyme kinetics, structural analysis and molecular modeling studies on a series of Schistosoma mansoni PNP inhibitors |
| title_full |
Enzyme kinetics, structural analysis and molecular modeling studies on a series of Schistosoma mansoni PNP inhibitors |
| title_fullStr |
Enzyme kinetics, structural analysis and molecular modeling studies on a series of Schistosoma mansoni PNP inhibitors |
| title_full_unstemmed |
Enzyme kinetics, structural analysis and molecular modeling studies on a series of Schistosoma mansoni PNP inhibitors |
| title_sort |
enzyme kinetics, structural analysis and molecular modeling studies on a series of schistosoma mansoni pnp inhibitors |
| description |
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). |
| publisher |
Sociedade Brasileira de Química |
| publishDate |
2011 |
| url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532011000300024 |
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