Inhibitory activity and docking studies of cathepsin V for isoflavanoids from Dalbergia miscolobium

Eder Lana e Silva, Laysa Lannes Moreira, Weverson Cavalcante Cardoso, Rodrigo Rezende Kitagawa, Keyller Bastos Borges, Paulo Cezar Vieira, Pedro Alves Bezerra Morais, Warley de Souza Borges

Resumo


Plant extracts from Dalbergia genus have demonstrated a wide range of biological activities including analgesic, antidiabetic, anti-inflammatory and antimicrobial. In this work, the chemical study of the extracts from the leaves and branches of Dalbergia miscolobium led to the identification of five isoflavonoids: prunetin, di-O-methyldaidzein, 8-O-methylretusin, duartin and sativan by means of nuclear magnetic resonance data. The inhibition activity of these isoflavonoids were screened against cathepsin V at concentration of 100 µM. Duartin and sativan showed remarkable activity against cathepsin V displaying inhibition values of 89% and 88%, respectively. In addition, docking simulations to predict the binding mode in this protein were performed and the results showed that the duartin is nicely bound to the cathepsin V and stabilized by two hydrogen bonds. The isoflavans duartin and sativan showed an important inhibition percentage of cathepsin V, which can be considered as targets into cathepsin V inhibitors investigation and further chemical study of Dalbergia species may afford novels isoflavonoids cathepsin inhibitors.

Palavras-chave


Dalbergia miscolobium; isoflavonoids; molecular docking; inhibitory activity; duartin; sativan; cathepsin V



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