Construction and application of pharmacophore model of benzoylurea derivatives as beta-tubulin inhibitors / 药学学报
Acta Pharmaceutica Sinica
;
(12): 462-466, 2010.
Article
in Chinese
| WPRIM
| ID: wpr-353375
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.
Full text:
Available
Index:
WPRIM (Western Pacific)
Main subject:
Structure-Activity Relationship
/
Urea
/
Benzamides
/
Software
/
Drug Design
/
Molecular Structure
/
Models, Molecular
/
Chemistry
/
Computer-Aided Design
/
Tubulin Modulators
Type of study:
Prognostic study
Language:
Chinese
Journal:
Acta Pharmaceutica Sinica
Year:
2010
Type:
Article
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