Literature DB >> 15887952

Structure-based virtual screening for plant-based ERbeta-selective ligands as potential preventative therapy against age-related neurodegenerative diseases.

Liqin Zhao1, Roberta D Brinton.   

Abstract

ERbeta has been associated with estrogen-induced promotion of memory function and neuronal survival. Based on the optimized complex structure of human ERbeta LBD bound with genistein, computer-aided structure-based virtual screening against a natural source chemical database was conducted to determine the occurrence of plant-based ERbeta-selective ligands. Twelve representative hits derived from database screening were assessed for their binding profiles to both ERs, three of which displayed over 100-fold binding selectivity to ERbeta over ERalpha.

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Year:  2005        PMID： 15887952     DOI： 10.1021/jm0490538

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


  18 in total

1.  Discriminating of HMG-CoA reductase inhibitors and decoys using self-organizing maps.

Authors:  Zhi Wang; Aixia Yan
Journal:  Mol Divers       Date:  2010-11-12       Impact factor: 2.943

Review 2.  Ligand discovery and virtual screening using the program LIDAEUS.

Authors:  P Taylor; E Blackburn; Y G Sheng; S Harding; K-Y Hsin; D Kan; S Shave; M D Walkinshaw
Journal:  Br J Pharmacol       Date:  2007-11-26       Impact factor: 8.739

3.  Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening.

Authors:  Jui-Hua Hsieh; Xiang S Wang; Denise Teotico; Alexander Golbraikh; Alexander Tropsha
Journal:  J Comput Aided Mol Des       Date:  2008-03-13       Impact factor: 3.686

4.  Safety and feasibility of estrogen receptor-β targeted phytoSERM formulation for menopausal symptoms: phase 1b/2a randomized clinical trial.

Authors:  Lon S Schneider; Gerson Hernandez; Liqin Zhao; Adrian A Franke; Yu-Ling Chen; Sonia Pawluczyk; Wendy J Mack; Roberta D Brinton
Journal:  Menopause       Date:  2019-08       Impact factor: 2.953

Review 5.  Adaptive cellular stress pathways as therapeutic targets of dietary phytochemicals: focus on the nervous system.

Authors:  Jaewon Lee; Dong-Gyu Jo; Daeui Park; Hae Young Chung; Mark P Mattson
Journal:  Pharmacol Rev       Date:  2014-07       Impact factor: 25.468

6.  Pharmacokinetics and safety profile of single-dose administration of an estrogen receptor β-selective phytoestrogenic (phytoSERM) formulation in perimenopausal and postmenopausal women.

Authors:  Gerson Hernandez; Liqin Zhao; Adrian A Franke; Yu-Ling Chen; Wendy J Mack; Roberta D Brinton; Lon S Schneider
Journal:  Menopause       Date:  2018-02       Impact factor: 2.953

7.  The effect of dietary soy isoflavones before and after ovariectomy on hippocampal protein markers of mitochondrial bioenergetics and antioxidant activity in female monkeys.

Authors:  Jamaica R Rettberg; Ryan T Hamilton; Zisu Mao; Jimmy To; Liqin Zhao; Susan E Appt; Thomas C Register; Jay R Kaplan; Roberta Diaz Brinton
Journal:  Brain Res       Date:  2011-01-14       Impact factor: 3.252

Review 8.  Does phytoestrogen supplementation affect cognition differentially in males and females?

Authors:  Nathalie Sumien; Kiran Chaudhari; Akram Sidhu; Michael J Forster
Journal:  Brain Res       Date:  2013-02-13       Impact factor: 3.252

9.  Dehydrogenation of the indoline-containing drug 4-chloro-N-(2-methyl-1-indolinyl)-3-sulfamoylbenzamide (indapamide) by CYP3A4: correlation with in silico predictions.

Authors:  Hao Sun; Chad Moore; Patrick M Dansette; Santosh Kumar; James R Halpert; Garold S Yost
Journal:  Drug Metab Dispos       Date:  2008-12-12       Impact factor: 3.922

Review 10.  Understanding nuclear receptors using computational methods.

Authors:  Ni Ai; Matthew D Krasowski; William J Welsh; Sean Ekins
Journal:  Drug Discov Today       Date:  2009-03-11       Impact factor: 7.851
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