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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