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Pure Appl. Chem., 2001, Vol. 73, No. 3, pp. 617-622

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

Paulo C. Vieira1*, Jair Mafezoli1, Mônica T. Pupo2, João B. Fernandes1, M. Fátima das G. F. da Silva1, Sérgio de Albuquerque2, Glaucius Oliva3 and Fernando Pavão4,3

1 Departamento de Química, Universidade Federal de São Carlos, CP 676, São Carlos, SP, Brazil
2 Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Ribeirão Preto, SP, Brazil
3 Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos, SP, Brazil
4 Instituto de Química de São Carlos, Universidade de São Paulo, São Carlos, SP, Brazil

Abstract: 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 the complex chalepin-enzyme was elucidated by X-ray crystallography, revealing the architecture of the interactions between the inhibitor and the enzyme active site.