Docking Study and Three-Dimensional Quantitative Structure- Activity Relationship （3D-QSAR） Analyses and Novel Molecular Design of a Series of 4-Aminoquinazolines as Inhibitors of Aurora B Kinase

The Aurora proteins are critical regulators of major mitotic events and attractive targets for anticancer therapy. 3D-QSAR studies based on molecular docking were performed on a dataset of 40 4-aminoquinazolines compounds. The CoMSIA model produced significantly better results than CoMFA model, with q2=0.652 and r2=0.991. The contours analysis provides useful information about the structural requirements for 4-aminoquinazolines for inhib- iting Aurora B. Scaffold hopping method was used to generate new structures based on the maximum common sub- structure of the training and test set compounds. The ADMET property, binding affinity and inhibitory activity of the new designed compounds were predicted, respectively. Finally 16 compounds were identified as the novel in- hibitors for Aurora B kinase.

中心突扩燃烧室PIV实验研究

利用PIV技术对两种不同尺寸的中心突扩燃烧室在不同入口速度条件下的冷态流场进行了实验研究,测量并分析了流场结构与来流速度、突扩比、喷管收缩段等因素的关系。实验结果表明利用PIV技术能较好地获得高速条件下燃烧室二维速度场;对于不同突扩比的燃烧室,突扩面后的流场结构类似,但回流区的最大负速度与入口速度的比例关系不同;在喷管入口处,流场在此处重新形成旋涡,其直径较大,但强度相对较弱。