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Article

5D-QSAR for spirocyclic sigma1 receptor ligands by Quasar receptor surface modeling.

European journal of medicinal chemistry - 1 Jul 2010

Oberdorf Christoph, Schmidt Thomas J, Wünsch Bernhard

Abstract excerpt

Based on a contiguous and structurally as well as biologically diverse set of 87 sigma(1) ligands, a 5D-QSAR study was conducted in which a quasi-atomistic receptor surface modeling approach (program package Quasar) was applied. The superposition of the ligands was performed with the tool Pharmacophore Elucidation (MOE-package), which takes all conformations of the ligands into account. This procedure led to four...

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Identifiers

PMID: 20427100
DOI: 10.1016/j.ejmech.2010.03.048

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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