Three dimensional pharmacophore modelling for c-Kit receptor tyrosine kinase inhibitors.

Kansal N; Silakari O; Ravikumar M

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Three dimensional pharmacophore modelling for c-Kit receptor tyrosine kinase inhibitors.

机译：C-kit受体酪氨酸激酶抑制剂的三维药物模型。

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Three Dimensional Pharmacophore model was developed based on 24 currently available c-Kit inhibitors. The best pharmacophore model (Hypo1) consists of four features namely one hydrogen bond acceptor, one hydrophobic point and two ring aromatics. The correlation coefficient, root mean square deviation and cost difference were 0.973, 0.729 and 100.989 respectively, suggesting that a highly predictive pharmacophore model was successfully obtained. The application of the model shows great success in predicting the activities of 40 known c-Kit inhibitors in our test set with a correlation coefficient of 0.709 with a cross validation of 95% confidence level. Accordingly, our model is reliable in identifying new compounds as c-Kit inhibitors.

机译：基于24个目前可用的C-kit抑制剂开发了三维药效线模型。最佳的药效线模型（Hypo1）由四个特征组成，即一个氢键受体，一个疏水点和两个环芳烃。相关系数，根均方偏差和成本差分别为0.973,0.729和100.989，表明成功获得了高度预测的药物模型。该模型的应用在预测我们的测试组中的40名已知的C-kit抑制剂的活动方面存在巨大成功，其相关系数为0.709，交叉验证达到95％的置信水平。因此，我们的模型可靠地鉴定为C-kit抑制剂的新化合物。

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《European Journal of Medicinal Chemistry: Chimie Therapeutique》 |2010年第1期|共12页
作者
Kansal N; Silakari O; Ravikumar M;
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Department of Pharmaceutical Science and Drug Research Punjabi University Patiala 147-002 India.;

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正文语种 eng
中图分类医药、卫生;劳动卫生;
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1. Three dimensional pharmacophore modelling for c-Kit receptor tyrosine kinase inhibitors. [J] . Kansal N, Silakari O, Ravikumar M European Journal of Medicinal Chemistry: Chimie Therapeutique . 2010,第1期

机译：c-Kit受体酪氨酸激酶抑制剂的三维药效团建模。
2. Three dimensional pharmacophore modelling for c-Kit receptor tyrosine kinase inhibitors. [J] . Kansal N, Silakari O, Ravikumar M European Journal of Medicinal Chemistry: Chimie Therapeutique . 2010,第1期

机译：C-kit受体酪氨酸激酶抑制剂的三维药物模型。
3. A Three Dimensional Pharmacophore Modeling for KDR and Tie-2 Receptor Tyrosine Kinase Inhibitors and Virtual Screening for New Multikinase Inhibitors [J] . Neha Kansal, Om Silakari, Muttineni Ravikumar QSAR & combinatorial science . 2009,第10期

机译：KDR和Tie-2受体酪氨酸激酶抑制剂的三维药效学建模和新型多激酶抑制剂的虚拟筛选
4. Structural Investigation of C-KIT Tyrosine Kinase by Hydrogen/Deuterium Exchange Coupled with FT-ICR Mass Spectrometry [C] . Huimin Zhang, Xiu Yu, Michael Greig, ASMS Conference on Mass Spectrometry and Allied Topics . 2008

机译：用FT-ICR质谱耦合氢气/氘交换C-kit酪氨酸激酶的结构研究
5. Thermodynamics of receptor tyrosine kinase dimerization in model mammalian membranes: Determining the molecular basis behind cancers and skeletal dysplasias. [D] . Placone, Jesse Kenneth. 2013

机译：模型哺乳动物膜中受体酪氨酸激酶二聚化的热力学：确定癌症和骨骼发育不良背后的分子基础。
6. p21ras activation via hemopoietin receptors and c-kit requires tyrosine kinase activity but not tyrosine phosphorylation of p21ras GTPase-activating protein. [O] . V Duronio, M J Welham, S Abraham, 1992

机译：通过造血素受体和c-kit激活p21ras需要酪氨酸激酶活性但不需要p21ras GTPase激活蛋白的酪氨酸磷酸化。
7. Tyrosine Kinase Inhibitors. 19. 6-Alkynamides of 4-Anilinoquinazolines and 4-Anilinopyrido3, 4-dpyrimidines as Irreversible Inhibitors of the erbB Family of Tyrosine Kinase Receptors [O] . -1

机译：酪氨酸激酶抑制剂。 19. 4-苯胺喹唑啉和4-苯胺吡啶喹啉3,4-D嘧啶的6-醇胺作为酪氨酸激酶受体的Irbb B家族的不可逆抑制剂

Three dimensional pharmacophore modelling for c-Kit receptor tyrosine kinase inhibitors.

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