Abstract
Selective Estrogen Receptor Modulators (SERMs) have been developed, but the selectivity towards the subtypes (ERα or ERβ) is not well understood. Based on three-dimensional structural properties of ligand binding domains, a model that takes into account this aspect was developed via molecular interaction fields and consensus principal component analysis (GRID/CPCA).
Keywords: ER subtypes, consensus PCA, selective estrogen receptor modulators, SERM, ligand binding domain, key interactions