Estrogens are steroid hormones playing critical roles in several physiological processes, which bind the estrogen receptors ERÎ± and ERÎ². 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 ERÎ± 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. Â© 2004 Elsevier SAS. All rights reserved.
Is it possible docking and scoring new ligands with few experimental data? Preliminary results on estrogen receptor as a case study / Cozzini, P.; Dottorini, T.. - In: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY. - ISSN 0223-5234. - 39:7(2004), pp. 601-609. [10.1016/j.ejmech.2004.02.014]
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