Structure-Based Design of Peptides against G3BP with Cytotoxicity on Tumor Cells
Citations Over Time
Abstract
Herein, we report a successful application of molecular modeling techniques to design two novel peptides with cytotoxicity on tumor cells. First, the interactions between the nuclear transport factor 2 (NTF2)-like domain of G3BP and the SH3 domain of RasGAP were studied by a well-designed protocol, which combines homology modeling, protein/protein docking, molecular dynamics simulations, molecular mechanics/generalized born surface area (MM/GBSA) free energy calculations, and MM/GBSA free energy decomposition analysis together. Then, based on the theoretical predictions, two novel peptides were designed and synthesized for biological assays, and they showed an obvious sensitizing effect on cis-platin. Furthermore, the designed peptides had no significant effects on normal cells, while cis-platin did. Our results demonstrate that it is feasible to use the peptides to enhance the efficacy of clinical drugs and to kill cancer cells selectively. We believe that our work should be very useful for finding new therapies for cancers.
Related Papers
- → Performance of 3D-Database Molecular Docking Studies into Homology Models(2004)99 cited
- → Bisabolangelone, a gastric H+/K+-ATPase inhibitor: homology modeling and docking study(2011)5 cited
- → Novel nitrogen-containing heterocyclic compounds in GPR109A as an anti-hyperlipidemic: Homology modeling, docking, dynamic simulation studies(2020)3 cited
- → Modeling the structure of mAb 14B7 bound to the anthrax protective antigen(2007)35 cited
- HOMOLOGY MODELING AND DOCKING STUDIES OF BCL2L10-HUMAN INVOLVED INCANCER(2012)