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[Construction and application of pharmacophore model of benzoylurea derivatives as beta-tubulin inhibitors].

Authors
  • Gao, Li-mei
  • Zhang, Sheng-hua
  • Yi, Hong
  • Jiang, Jian-dong
  • Song, Dan-qing
Type
Published Article
Journal
Yao xue xue bao = Acta pharmaceutica Sinica
Publication Date
Apr 01, 2010
Volume
45
Issue
4
Pages
462–466
Identifiers
PMID: 21355210
Source
Medline
License
Unknown

Abstract

Ten pharmacophore models of beta-tubulin inhibitors were established from the training set of seventeen beta-tubulin inhibitors (two categories) with comformer analysis by using the Catalyst software. The optimal pharmacophore model with two hydrophobic units and two hydrogen bond acceptor units were confirmed (RMS = 0.43, Correl = 0.98, Weight = 2.06, Config = 15.97). This pharmacophore model is able to predict the activity of known beta-tubulin inhibitors and can be further used to identify structurally diverse compounds with higher activity.

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