Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands

@article{CastilloGonzlez2015HarmonizationOQ,
  title={Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands},
  author={Daimel Castillo-Gonz{\'a}lez and Jean-Louis Mergny and Aurore De Rache and Gisselle P{\'e}rez-Machado and Miguel {\'A}ngel Cabrera-P{\'e}rez and Orazio Nicolotti and Antonellina Introcaso and Giuseppe Mangiatordi and Aurore Gu{\'e}din and Anne Bourdoncle and Teresa M. Garrigues and Federico Pallard{\'o} and M Nat{\'a}lia Dias Soeiro Cordeiro and C{\'e}sar Paz-Y-Mi{\~n}o and Eduardo Tejera and Fernanda Borges and Maykel Cruz-Monteagudo},
  journal={Journal of chemical information and modeling},
  year={2015},
  volume={55 10},
  pages={
          2094-110
        }
}
Telomeres and telomerase are key players in tumorogenesis. Among the various strategies proposed for telomerase inhibition or telomere uncapping, the stabilization of telomeric G-quadruplex (G4) structures is a very promising one. Additionally, G4 stabilizing ligands also act over tumors mediated by the alternative elongation of telomeres. Accordingly, the discovery of novel compounds able to act on telomeres and/or inhibit the telomerase enzyme by stabilizing DNA telomeric G4 structures as… CONTINUE READING
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