Citation: Ning LIAO, Ting Jun HOU, Jia Quan WANG, Chong Xi LI, Xiao Jie XU. Common Pharmacophore Model and 3D-QSAR Analysis of Two Different Tyrphostin Families[J]. Chinese Chemical Letters, ;1999, 10(9): 755-758. shu

Common Pharmacophore Model and 3D-QSAR Analysis of Two Different Tyrphostin Families

Department of Chemistry, Beida-Jiuyuan Molecular Design Laboratory, Peking University, Beijing 100871

Received Date: 29 April 1999

In the present study we investigated two groups of small molecular tyrosine kinase phosphorylation inhibitors (tyrphostins) with quite different structures(19 compounds of the bcnivlidenc maiononitrile famliy and 13 compounds of the 3-substituted indolin-2-ones family) With the aid of a pharmacophore analysis method (CATALYST). a common three-dimensional pharmacophore model to these two kinds of molecules has been discovered. A better 3D-QSAR analysis based on the generated pharmacophore model was conducted (correaate coeffcient R=0.9561 and the model shows very good predictive ability.
- Pharmacophore model,
- 3D-QSAR,
- tyrphostin
1. [1]
  Zhenguo Zhang , Lanyang Li , Xinlong Zong , Yongheng Lv , Shuanglei Liu , Liang Ji , Xuefei Zhao , Zhenhua Jia , Teck-Peng Loh . "Water" accelerated B(C₆F₅)₃-catalyzed Mukaiyama-aldol reaction: Outer-sphere activation model. Chinese Chemical Letters, 2025, 36(7): 110504-. doi: 10.1016/j.cclet.2024.110504
2. [2]
  Bingwei Wang , Yihong Ding , Xiao Tian . Benchmarking model chemistry composite calculations for vertical ionization potential of molecular systems. Chinese Chemical Letters, 2025, 36(2): 109721-. doi: 10.1016/j.cclet.2024.109721
3. [3]
  Chen Chen , Jinzhou Zheng , Chaoqin Chu , Qinkun Xiao , Chaozheng He , Xi Fu . An effective method for generating crystal structures based on the variational autoencoder and the diffusion model. Chinese Chemical Letters, 2025, 36(4): 109739-. doi: 10.1016/j.cclet.2024.109739
4. [4]
  Xiaoli Zhong , Liangsheng Chen , Hao Xu , Tianhang Jiang , Zhengyi Hua , Fancheng Tan , Xiaoya Mao , Ziquan Fan , Zhiwei Li , Jun Zeng , Shu-Hai Lin . Development of a comprehensive computational pipeline for cardiolipin atlas in an intermittent fasting model. Chinese Chemical Letters, 2025, 36(12): 111027-. doi: 10.1016/j.cclet.2025.111027
5. [5]
  Tao Wei , Jiahao Lu , Pan Zhang , Qi Zhang , Guang Yang , Ruizhi Yang , Daifen Chen , Qian Wang , Yongfu Tang . An intermittent lithium deposition model based on bimetallic MOFs derivatives for dendrite-free lithium anode with ultrahigh areal capacity. Chinese Chemical Letters, 2024, 35(8): 109122-. doi: 10.1016/j.cclet.2023.109122
6. [6]
  Jun-Yang Wang , Yu-Qing Wei , Qing-Ning Wang , Zhi-Guo Wang , Rui Hong , Lisha Yi , Ping Xu , Jia-Zhuang Xu , Zhong-Ming Li , Baisong Zhao . Mucus-inspired lubricative antibacterial coating to reduce airway complications in an intubation cynomolgus monkey model. Chinese Chemical Letters, 2025, 36(8): 110559-. doi: 10.1016/j.cclet.2024.110559
7. [7]
  Han-Bin Liu , Xiaoyu Cheng , Zhou Guo , Juan Yang , Fuwen Tan , Donghui Lan , Jian-Ping Tan , Bing Yi , Weixin Zhai , Qing-Hui Guo . CrownBind-IA: A machine learning model predicting binding constants between crown ethers and alkali metal ions. Chinese Chemical Letters, 2025, 36(12): 111149-. doi: 10.1016/j.cclet.2025.111149
8. [8]
  Baolei Li , Da Wang , Miao Yu , Chaozheng He , Xue Li , Jing Zhai , Mdmahadi Hasan , Chenxu Zhao , Min Wang , Dingcai Shen . Accelerating multi-objective catalytic material design: A model-based method. Chinese Chemical Letters, 2025, 36(12): 110454-. doi: 10.1016/j.cclet.2024.110454
9. [9]
  Qi Zhang , Bin Han , Yucheng Jin , Mingrun Li , Enhui Zhang , Jianzhuang Jiang . 2D and 3D phthalocyanine covalent organic frameworks for electrocatalytic carbon dioxide reduction. Chinese Chemical Letters, 2025, 36(9): 110330-. doi: 10.1016/j.cclet.2024.110330
10. [10]
  Yuexi Guo , Zhaoyang Li , Jingwei Dai . Charlie and the 3D Printing Chocolate Factory. University Chemistry, 2024, 39(9): 235-242. doi: 10.3866/PKU.DXHX202309067
11. [11]
  Jingwen Wang , Peizhang Zhao , Mengmeng Li , Jun Li , Yunfeng Lin . Remedying infectious bone defects via 3D printing technology. Chinese Chemical Letters, 2025, 36(9): 110686-. doi: 10.1016/j.cclet.2024.110686
12. [12]
  Jiawei Hu , Kai Xia , Ao Yang , Zhihao Zhang , Wen Xiao , Chao Liu , Qinfang Zhang . Interfacial Engineering of Ultrathin 2D/2D NiPS₃/C₃N₅ Heterojunctions for Boosting Photocatalytic H₂ Evolution. Acta Physico-Chimica Sinica, 2024, 40(5): 2305043-0. doi: 10.3866/PKU.WHXB202305043
13. [13]
  Jie XIE , Hongnan XU , Jianfeng LIAO , Ruoyu CHEN , Lin SUN , Zhong JIN . Nitrogen-doped 3D graphene-carbon nanotube network for efficient lithium storage. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1840-1849. doi: 10.11862/CJIC.20240216
14. [14]
  Xi Xu , Chaokai Zhu , Leiqing Cao , Zhuozhao Wu , Cao Guan . Experiential Education and 3D-Printed Alloys: Innovative Exploration and Student Development. University Chemistry, 2024, 39(2): 347-357. doi: 10.3866/PKU.DXHX202308039
15. [15]
  Qiang Zhou , Pingping Zhu , Wei Shao , Wanqun Hu , Xuan Lei , Haiyang Yang . Innovative Experimental Teaching Design for 3D Printing High-Strength Hydrogel Experiments. University Chemistry, 2024, 39(6): 264-270. doi: 10.3866/PKU.DXHX202310064
16. [16]
  Changyuan Bao , Yunpeng Jiang , Haoyin Zhong , Huaizheng Ren , Junhui Wang , Binbin Liu , Qi Zhao , Fan Jin , Yan Meng Chong , Jianguo Sun , Fei Wang , Bo Wang , Ximeng Liu , Dianlong Wang , John Wang . Synergizing 3D-printed structure and sodiophilic interface enables highly efficient sodium metal anodes. Chinese Chemical Letters, 2024, 35(11): 109353-. doi: 10.1016/j.cclet.2023.109353
17. [17]
  Chengmin Hu , Pingxuan Liu , Ziyang Song , Yaokang Lv , Hui Duan , Li Xie , Ling Miao , Mingxian Liu , Lihua Gan . Tailor-made overstable 3D carbon superstructures towards efficient zinc-ion storage. Chinese Chemical Letters, 2025, 36(4): 110381-. doi: 10.1016/j.cclet.2024.110381
18. [18]
  Run Chai , Qiujie Wu , Yongchao Liu , Xiaohui Song , Xuyong Feng , Yi Sun , Hongfa Xiang . A 3D dual layer host with enhanced sodiophilicity as stable anode for high-energy sodium metal batteries. Chinese Chemical Letters, 2025, 36(6): 110007-. doi: 10.1016/j.cclet.2024.110007
19. [19]
  Qi HUANG , Youyi WANG , Zhujian MAO , Zhonghui YE , Weihan CHEN , Jui-yeh RAU , Jian HUANG . Enhanced photocatalytic tetracycline degradation via 2D CdS/Ti₃AlC₂ MAX heterostructure. Chinese Journal of Inorganic Chemistry, 2025, 41(11): 2385-2398. doi: 10.11862/CJIC.20250159
20. [20]
  Yuan Teng , Zichun Zhou , Jinghua Chen , Siying Huang , Hongyan Chen , Daibin Kuang . Dual atom-bridge effect promoting interfacial charge transfer in 2D/2D Cs₃Bi₂Br₉/BiOBr epitaxial heterojunction for efficient photocatalysis. Chinese Chemical Letters, 2025, 36(2): 110430-. doi: 10.1016/j.cclet.2024.110430

Get Citation

PDF

XML

Metrics

PDF Downloads(0)
Abstract views(1113)
HTML views(52)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return