Journal
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
Volume 22, Issue 3, Pages 583-591Publisher
SOC BRASILEIRA QUIMICA
DOI: 10.1590/S0103-50532011000300024
Keywords
neglected tropical diseases; schistosomiasis; enzyme inhibition; crystal structure; binding affinity
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Funding
- FAPESP (Sao Paulo Research Foundation)
- FAPESB (Fundacao de Amparo a Pesquisa do Estado da Bahia)
- CNPq (National Council for Scientific and Technological Development), Brazil
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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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