查询词典 quinazoline

Moreover, we have successfully applied this model to predict the relative binding free energies for four binding modes of EGFR/quinazoline. The most favorable binding mode identified by MM/PBSA could also be correctly recognized by MM/SAWSA.

我们把SAWSA替代PBSA计算用于结合自由能的计算，结果表明在计算效率大大提高的情况下，MM／SAWSA计算能得到和MM／PBSA计算可比的结果。

The five quinazoline compounds were prepared by using 2 amino 4,5 dimethoxy benzoic acid as original material, which underwent ring closing, halogenation and substitution.

以2 氨基 4，5 二甲氧基苯甲酸为原料，分别经过环化、氯代、取代等反应，合成了五种目标化合物。

Special attention was directed toward finding inhibitors selective against KDR tyrosine kinase in order to ensure that the in vivo profile of a specific Src inhibitor could be determined. The 4-aminobenzodioxole quinazoline series gave compounds with excellent potency and selectivity.

一直以来，人们为了确保能够在体内测定Src酶专属性抑制剂的特性，把研究焦点放在对KDR酪氨酸激酶选择性的抑制剂的寻找上。4-氨基苯并间二氧五环喹唑啉系列化合物具有极好的效力和选择性。

The predicted complex structure of quinazoline type inhibitor with EGF-R, as well as the pharmacophore mapping from CoMFA, can interpret the structure-activities of the inhibitors well and afford us important information for structure-based drug design.

基于定量构效关系研究和复合物结构模型，我们对抑制剂的改造提出了一些新的思路。

The five quinazoline compounds were prepared by using 2????amino????4,5????dimethoxy benzoic acid as original material, which underwent ring????

我们改进了这种化合物的合成方法，用简单省时的SOCl2回流法合成五种喹唑啉类EGFR？？？？

It has been demonstrated that the methods are successfully used for QSRR studies of quinazoline derivatives, alkypyridine, haloid alkane, ketone, alcohol, sulfur alcohol compounds.

本文成功地用该方法对喹唑啉类、烷基吡啶化合物、卤代烃、醇、羰基化合物和硫醇化合物的结构保留关系进行了探讨。

Quinazolinone ring was used to replace the quinoline moiety of quinoline phenoxyphenylacetic acids which have been discovered as potent AⅡ antagonists, to give a new series of antagonists, while their quinazoline analogs were obtained as isomers during the synthesis of.

前文报道了一系列喹啉苯氧基苯乙酸类非肽类血管紧张素Ⅱ受体拮抗剂，本文以喹唑啉酮代替化合物的喹啉获得化合物，在合成化合物时，同时还获得了化合物。

From the calculations, it can be found that the van der Waals interactions, the hydrophobic interactions, as well as the H-bonding interactions are crucial for the ligand binding. The 4-phenylamino group can produce strong van der Waals adn hydrophobic interactions with the nonpolar side chains of the residues deep in the binding cleft. The R^1 and R^2 substituents on the bicyclic chromophore can also produce strong van der Waals and hydrophobic interactions with the residues located at the exterior part of the binding pocket. Moreover, the two N atoms of the quinazoline can form H-bonds with EGFR, which will produce significant contribution to biological activities. The calculated nonbonded interactions between anilinoquinazolines and EGFR, as well as the information obtained from the predicted complexes, can interpret the structure-activities of the inhibitors well, which can afford us important information for structure-based drug design.

从模拟结果得到的抑制剂和靶酶之间的相互作用模式表明范德华相互作用、疏水相互作用以及氢键相互作用对抑制剂的活性都有重要的影响，抑制剂的苯胺部分位于活性口袋的底部，能够与受体残基的非极性侧链产生很强的范德华和疏水相互作用，抑制剂双环上的取代基团也能和活性口袋外部的部分残基形成一定的范德华和疏水性相互作用，而抑制剂喹唑啉环上的氮原子能和周围的残基形成较强的氢键相互作用，对抑制剂的活性有较大的影响，计算得到抑制剂和靶酶之间的非键相互作用能以及抑制剂和靶酶之间的相互作用信息能够很好地解释抑制剂活性和结构的关系，为全新抑制剂的设计提供了重要的结构信息。

Subsequently, 3-(substituted-phenyl)isoxa- zole-5-methylamino-4(3H)-quinazoline derivatives 6a～6e were obtained by solid-grinding 5a～5e and 4 under the basic Al2O3 at room temperature.

4与5a～5e在碱性氧化铝作用下固相研磨合成了5种未见文献报道的新型的含异噁唑环的喹唑啉衍生物6a～6e。

Many of the aza quinazolines have showed potent activity, such as pyrido[2,3-d]pyrimidine, pyrido [3,2-d]pyrimidine, pyrido[4,3-d]pyrimidine, pyrido[3,4-d]pyrimidine, and pyrimido [5,4-d]pyrimidine. Moreover, the compounds that the benzene in quinazoline ring was substituted by five-member rings, such as pyrrolo[2,3-d]pyrimidine, pyrazolo[3,4-d]pyrimidine, can also inhibit the EGFR and show bright prospects.

然而喹唑啉环并非EGFR抑制剂所必须的，在随后的研究中，人们发现许多氮杂喹唑啉类也有很好的活性，如吡啶并[2，3-d]嘧啶类、吡啶并[3，2-d]嘧啶类、吡啶并[4，3-d]嘧啶类、吡啶并[3，4-d]嘧啶类、嘧啶并[5，4-d]嘧啶类，也就是在喹唑啉环的5，6，7，8-位都可以氮杂，且都有活性。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。