Structure-based design of peptides against G3BP with cytotoxicity on tumor cells.
作者： Wei Cui , Zhuo Wei , Quan Chen , Yuanhua Cheng , Lingling Geng
DOI: 10.1021/CI900404P
关键词:
摘要: Herein, we report a successful application of molecular modeling techniques to design two novel peptides with cytotoxicity on tumor cells. First, the interactions between nuclear transport factor 2 (NTF2)-like domain G3BP and SH3 RasGAP were studied by well-designed protocol, which combines homology modeling, protein/protein docking, dynamics simulations, mechanics/generalized born surface area (MM/GBSA) free energy calculations, MM/GBSA decomposition analysis together. Then, based theoretical predictions, designed synthesized for biological assays, they showed an obvious sensitizing effect cis-platin. Furthermore, deigned had no significant effects normal cells, while cis-platin did. Our results demonstrate that it is feasible use enhance efficacy clinical drugs kill cancer cells selectively. We believe our work should be very useful finding new th...
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