Title : QSAR of estrogen receptor modulators: exploring selectivity requirements for ER(alpha) versus ER(beta) binding of tetrahydroisoquinoline derivatives using E-state and physicochemical parameters.

Pub. Date : 2005 Feb 15

PMID : 15686893






2 Functional Relationships(s)
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1 Considering importance of developing selective estrogen receptor modulators (SERMs), the present paper explores selectivity requirements of tetrahydroisoquinoline derivatives for binding with ER(alpha) versus ER(beta) receptors using E-state index and physicochemical parameters. 1,2,3,4-tetrahydroisoquinoline estrogen receptor 1 Homo sapiens
2 From the analysis it appears that the nitrogen atom of the aminoethoxyphenyl substituent and 6-hydroxy substituent of the tetrahydroisoquinoline nucleus play important roles for ER(alpha)/ER(beta) selectivity in addition to R(1) and R(2) substituents. 1,2,3,4-tetrahydroisoquinoline estrogen receptor 1 Homo sapiens