Application of 4D-QSAR Studies to a Series of Raloxifene Analogs and Design of Potential Selective Estrogen Receptor Modulators

Application of 4D-QSAR Studies to a Series of Raloxifene Analogs and Design of Potential Selective Estrogen Receptor Modulators

Four-dimensional quantitative structure-activity relationship (4D-QSAR) analysis was applied on a series of 54 2-arylbenzothiophene derivatives, synthesized by Grese and coworkers, based on raloxifene (an estrogen receptor-alpha antagonist), and evaluated as ERa ligands and as inhibitors of estrogen...

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Bibliographic Details
Main Authors: Carlos Rangel Rodrigues, Lúcio Mendes Cabral, Helena Carla Castro, Magaly Girão Albuquerque, Ricardo Bicca de Alencastro, Uiaran de Oliveira Magalhães, Elaine Fontes Ferreira da Cunha, Ana Carolina Rennó Sodero, Nelilma Correia Romeiro
Format: Article
Language:English
Published: MDPI AG 2012-06-01
Series:Molecules
Subjects:
four dimensional quantitative structure-activity relationship (4D-QSAR)
ligand based drug design (LBDD)
molecular modeling
estrogen receptor alpha (ERa)
estrogen receptor beta (ERb)
selective estrogen receptor modulator (SERM)
raloxifene
ligand binding domain (LBD)
Online Access:http://www.mdpi.com/1420-3049/17/6/7415

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http://www.mdpi.com/1420-3049/17/6/7415

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