当前位置： SCI文献检索 > EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY期刊下所有文献 > Is it possible docking and scoring new ligands with few experimental data? Preliminary results on estrogen receptor as a case study.

Is it possible docking and scoring new ligands with few experimental data? Preliminary results on estrogen receptor as a case study.

Abstract：

:Estrogens are steroid hormones playing critical roles in several physiological processes, which bind the estrogen receptors ERalpha and ERbeta. Aim of this work is to analyze, by different docking experiments, the behavior of a set of compounds, mimicking estrogens activity, in order to understand the relationship between ERalpha and such new ligands. Main goal is to verify, using a widely tested scoring software procedure applied on a set of 10 compounds, the possibility to produce new lead candidate molecules in lack of, or with few experimental data. Our preliminary results reveal the significance of HINT software as a scoring function in docking methodology and specifically, as a mean for assessing the consistency of docking solutions.

journal_name

Eur J Med Chem

journal_title

European journal of medicinal chemistry

authors

Cozzini P,Dottorini T

doi

10.1016/j.ejmech.2004.02.014

subject

Has Abstract

pub_date

2004-07-01 00:00:00

pages

601-9

issue

7

eissn

0223-5234

issn

1768-3254

pii

S0223523404000777

journal_volume

39

pub_type

杂志文章

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