Pharmacophore Mapping of Selective Binding Affinity of Estrogen Modulators Through Classical and Space Modeling Approaches: Exploration of Bridged‐Cyclic Compounds with Diarylethylene Linkage.

Abstract

Computers in chemistry V 0380 Pharmacophore Mapping of Selective Binding Affinity of Estrogen Modulators Through Classical and Space Modeling Approaches: Exploration of Bridged-Cyclic Compounds with Diarylethylene Linkage. -(MUKHERJEE, S.; NAGAR, S.; MULLICK, S.; MUKHERJEE, A.; SAHA*, A.; J. Chem. Inf. Model. (J. Chem. Inf. Comput. Sci.) 47 (2007) 2, 475-487; Dep. Chem. Technol., Univ. Calcutta, Kolkata 700 009, India; Eng.) -Lindner 24-195

Discovery of estrogen receptor modulators: a review of virtual screening and SAR efforts

“…A receptor-independent pharmacophore mapping model was proposed by Mukherjee et al [47] to visualize the pharmacophores of ER a and b based on the binding affinities of 14 bridged bicyclic-1 and 20 1-diarylethylene derivatives. The models for ER subtypes demonstrated the importance of the critical inter-feature distances among H-bond acceptor, hydrophobic and ring aromatic features, along with steric influence primarily governing the ER-subtypes specific binding of scaffolds containing the 1,1-diaryl compounds of SERMs.…”