Development of a Sigma‐2 Receptor affinity filter through a Monte Carlo based QSAR analysis

@article{Rescifina2017DevelopmentOA,
  title={Development of a Sigma‐2 Receptor affinity filter through a Monte Carlo based QSAR analysis},
  author={A. Rescifina and Giuseppe Floresta and A. Marrazzo and C. Parenti and O. Prezzavento and G. Nastasi and M. Dichiara and E. Amata},
  journal={European Journal of Pharmaceutical Sciences},
  year={2017},
  volume={106},
  pages={94–101}
}
Abstract For the first time in sigma‐2 (&sgr;2) receptor field, a quantitative structure–activity relationship (QSAR) model has been built using pKi values of the whole set of known selective &sgr;2 receptor ligands (548 compounds), taken from the Sigma‐2 Receptor Selective Ligands Database (S2RSLDB) (http://www.researchdsf.unict.it/S2RSLDB/), through the Monte Carlo technique and employing the software CORAL. The model has been developed by using a large and structurally diverse set of… Expand
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References

SHOWING 1-10 OF 41 REFERENCES
QSAR models for HEPT derivates as NNRTI inhibitors based on Monte Carlo method.
  • 48
  • PDF
coral Software: QSAR for Anticancer Agents
  • 23
  • PDF
SMILES-based QSAR model for arylpiperazines as high-affinity 5-HT(1A) receptor ligands using CORAL.
  • 41
A structure-affinity and comparative molecular field analysis of sigma-2 (sigma2) receptor ligands.
  • 26
Searching therapeutic agents for treatment of Alzheimer disease using the Monte Carlo method
  • 30
  • Highly Influential
CORAL software: prediction of carcinogenicity of drugs by means of the Monte Carlo method.
  • A. Toropova, A. Toropov
  • Medicine, Chemistry
  • European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
  • 2014
  • 61
  • Highly Influential
  • PDF
Combined CoMFA and CoMSIA 3D‐QSAR study of benzimidazole and benzothiophene derivatives with selective affinity for the CB2 cannabinoid receptor
  • J. Romero‐Parra, H. Chung, +7 authors J. Mella
  • Chemistry, Medicine
  • European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
  • 2017
  • 16
QSPR modeling bioconcentration factor (BCF) by balance of correlations.
  • 28
CORAL: prediction of binding affinity and efficacy of thyroid hormone receptor ligands.
  • 12
...
1
2
3
4
5
...