Strategies for the isolation and identification of trypanocidal compounds from the Rutales

Paulo C. Vieira, Jair Mafezoli, Mônica T. Pupo, João B. Fernandes, M. Fátima das G. F. da Silva, Sérgio de Albuquerque, Glaucius Oliva, Fernando Pavão
2001 Pure and Applied Chemistry  
Crude extracts of Rutales species were tested in vitro against the trypomastigote form of Trypanosoma cruzi at 4 mg/mL, and 20% of them showed significant activity (80%). Their inhibitory activity against the glycolytic enzyme GAPDH from T. cruzi has also been evaluated at the concentrations of 100 and 200 mg/mL. Additionally, the inhibitory activity of 13 purified coumarins were also assayed against T. cruzi-GAPDH. Chalepin was the most active substance with IC50 = 64 mM. The 3D structure of
more » ... e 3D structure of the complex chalepin-enzyme was elucidated by X-ray crystallography, revealing the architecture of the interactions between the inhibitor and the enzyme active site.
doi:10.1351/pac200173030617 fatcat:twywg64cezhaxbs56d6rmoedte