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[Construction and application of pharmacophore model of benzoylurea derivatives as beta-tubulin inhibitors].
Yao Xue Xue Bao. 2010 Apr; 45(4):462-6.YX

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.

Authors+Show Affiliations

Gao LM
Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences & Beijing Union Medical College, Beijing 100050, China.
Zhang SH
No affiliation info available
Yi H
No affiliation info available
Jiang JD
No affiliation info available
Song DQ
No affiliation info available

MeSH

BenzamidesComputer-Aided DesignDrug DesignModels, ChemicalModels, MolecularMolecular ConformationMolecular StructureSoftwareStructure-Activity RelationshipTubulin ModulatorsUrea

Pub Type(s)

English Abstract
Journal Article
Research Support, Non-U.S. Gov't

Language

chi

PubMed ID

21355210

Citation

Gao, Li-mei, et al. "[Construction and Application of Pharmacophore Model of Benzoylurea Derivatives as Beta-tubulin Inhibitors]." Yao Xue Xue Bao = Acta Pharmaceutica Sinica, vol. 45, no. 4, 2010, pp. 462-6.
Gao LM, Zhang SH, Yi H, et al. [Construction and application of pharmacophore model of benzoylurea derivatives as beta-tubulin inhibitors]. Yao Xue Xue Bao. 2010;45(4):462-6.
Gao, L. M., Zhang, S. H., Yi, H., Jiang, J. D., & Song, D. Q. (2010). [Construction and application of pharmacophore model of benzoylurea derivatives as beta-tubulin inhibitors]. Yao Xue Xue Bao = Acta Pharmaceutica Sinica, 45(4), 462-6.
Gao LM, et al. [Construction and Application of Pharmacophore Model of Benzoylurea Derivatives as Beta-tubulin Inhibitors]. Yao Xue Xue Bao. 2010;45(4):462-6. PubMed PMID: 21355210.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - [Construction and application of pharmacophore model of benzoylurea derivatives as beta-tubulin inhibitors]. AU - Gao,Li-mei, AU - Zhang,Sheng-hua, AU - Yi,Hong, AU - Jiang,Jian-dong, AU - Song,Dan-qing, PY - 2011/3/2/entrez PY - 2011/3/2/pubmed PY - 2012/4/17/medline SP - 462 EP - 6 JF - Yao xue xue bao = Acta pharmaceutica Sinica JO - Yao Xue Xue Bao VL - 45 IS - 4 N2 - 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. SN - 0513-4870 UR - https://www.unboundmedicine.com/medline/citation/21355210/[Construction_and_application_of_pharmacophore_model_of_benzoylurea_derivatives_as_beta_tubulin_inhibitors]_ DB - PRIME DP - Unbound Medicine ER -