Hyphenated 3D-QSAR statistical model-scaffold hopping analysis for the identification of potentially potent and selective sigma-2 receptor ligands.

@article{Floresta2017Hyphenated3S,
  title={Hyphenated 3D-QSAR statistical model-scaffold hopping analysis for the identification of potentially potent and selective sigma-2 receptor ligands.},
  author={Giuseppe Floresta and A. Rescifina and A. Marrazzo and M. Dichiara and V. Pistar{\`a} and V. Pittal{\`a} and O. Prezzavento and E. Amata},
  journal={European journal of medicinal chemistry},
  year={2017},
  volume={139},
  pages={
          884-891
        }
}
A 3D quantitative structure-activity relationship (3D-QSAR) model for predicting the σ2 receptor affinity has been constructed with the aim of providing a useful tool for the identification, design, and optimization of novel σ2 receptor ligands. The model has been built using a set of 500 selective σ2 receptor ligands recovered from the sigma-2 receptor selective ligand database (S2RSLDB) and developed with the software Forge. The present model showed high statistical quality as confirmed by… Expand
26 Citations
Morphing of Ibogaine: A Successful Attempt into the Search for Sigma-2 Receptor Ligands
  • 3
  • PDF
...
1
2
3
...

References

SHOWING 1-10 OF 61 REFERENCES
Development of a Sigma‐2 Receptor affinity filter through a Monte Carlo based QSAR analysis
  • A. Rescifina, Giuseppe Floresta, +5 authors E. Amata
  • Chemistry, Medicine
  • European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
  • 2017
  • 41
Sigma-2 receptor ligands QSAR model dataset
  • 32
A structure-affinity and comparative molecular field analysis of sigma-2 (sigma2) receptor ligands.
  • 26
ZINC - A Free Database of Commercially Available Compounds for Virtual Screening
  • 2,050
  • PDF
...
1
2
3
4
5
...