Survivin as a Target for Anti-cancer Phytochemicals According to the Molecular Docking Analysis.

Foroughi, Kobra; Jahanbani, Sarvin; Nazarnezhad, Simin; Khastar, Hossein; Jafarisani, Moslem; Tashakori, Mersedeh; Kazemi, Seyedeh Sareh

Survivin is a unique member of the inhibitor of apoptosis protein family. Research has approved Survivin's ability to interact with Smac/DIABLO, suggesting that Survivin may suppress activation of caspases indirectly. On the other hand, research has demonstrated that many drugs for cancer therapy are unsuccessful and disappointing in advanced stages. Therefore, it is necessary to find new drugs with the highest anti-cancer properties and lowest side effects. We investigated the interaction of some phytochemicals with BIR domain of Survivin. In this study, the 3D structures of some phytochemicals, including Berberine, Carvacrol, Crocetin, Crocin, Curcumin, Picrocrocin, Piperine, and Thymol, were harnessed from Human Metabolome Database, which has reported some evidence about these phytochemicals' anti-cancer effect via the apoptosis induction with Survivin. Then, these structures were prepared for molecular docking analysis by Autodock Vina software. Ultimately, the binding energies between docked Survivin and the above mentioned phytochemicals were calculated and their interactions were predicted. Our results indicated that all phytochemicals can interact with Survivin molecule in active site of Smac/DIABLO and the best minimum binding energies belong to Piperine and Picrocrocin. It is concluded that, out of the studied compounds, Piperine and Picrocrocin could act as potential inhibitors of Survivin.

CARVACROL; MOLECULAR docking; PHYTOCHEMICALS; BINDING energy; BERBERINE; CROCIN

International Journal of Peptide Research & Therapeutics, 2020, Vol 26, Issue 2, p1115

1573-3149

Academic Journal

10.1007/s10989-019-09914-3