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Predicting the Cell Differentiation Activity of 1α,25-Dihydroxyvitamin D<INF>3</INF> Side Chain Analogues from Docking Simulations

Authors :
Sussman, F.
Rumbo, A.
Villaverde, M. C.
Mourino, A.
Source :
Journal of Medicinal Chemistry; March 2004, Vol. 47 Issue: 7 p1613-1616, 4p
Publication Year :
2004

Abstract

We present a receptor-based protocol for the prediction of the cell differentiation activities of a series of side chain analogues of 1α,25-dihydroxyvitamin D&lt;INF&gt;3&lt;/INF&gt;, a compound that exhibits a very large variety of biological functions. Our protocol is able to reproduce the activity of the compounds studied here. It also sheds light on the relative importance of binding site residues in the biological activity and on the mechanism behind it.

Details

Language :
English
ISSN :
00222623 and 15204804
Volume :
47
Issue :
7
Database :
Supplemental Index
Journal :
Journal of Medicinal Chemistry
Publication Type :
Periodical
Accession number :
ejs5802717