In silico studies using Radial Distribution Function approach for predicting affinity of 1α,25-dihydroxyvitamin D3 analogues for vitamin D receptor

被引：19

作者：

González, MP ^{[1
]}

Puente, M

Fall, Y

Gómez, G

机构：

[1] Vigo Univ, Dept Organ Chem, Vigo 36200, Spain

[2] Cent Univ Las Villas, Chem Bioact Ctr, Villa Clara 54830, Cuba

[3] Expt Sugar Cane Stn Villa Clara Cienfuegos, Serv Unit, Villa Clara 53100, Cuba

来源：

STEROIDS | 2006年 / 71卷 / 06期

关键词：

QSAR; VDR; RDF descriptors; vitamin D;

D O I：

10.1016/j.steroids.2006.02.001

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The Radial Distribution Function (RDF) approach has been applied to the study of the chick intestinal VDR affinity of 49 Vitamin D analogues. A model able to describe more than 77.5% of the variance in the experimental activity was developed with the use of the mentioned approach. In contrast, none of four different approaches, including the use of Topological, BCUT, Randic molecular profiles and Geometrical descriptors were able to explain more than 55% of the variance in the mentioned property, with the same number of variables in the equation. (c) 2006 Elsevier Inc. All rights reserved.

引用

页码：510 / 527

页数：18

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