Journal of Chinese Pharmaceutical Sciences ›› 2016, Vol. 25 ›› Issue (6): 395-407.DOI: 10.5246/jcps.2016.06.045

• Original articles •     Next Articles

Synthesis, anti-fibrosis activity, and quantitative structure-activity relationship studies of 1,3-disubstituted-pyridin-4(1H)-one derivatives

Juan Peng1#, Qianbin Li1#, Honglin Xiang2, Zeyu Wang1, Gaoyun Hu1*   

  1. 1. Department of Medicinal Chemistry, School of Pharmaceutical Sciences, Central South University, Changsha 410013, China
    2. Department of Pharmacy, School of Medicine, Hunan Normal University, Changsha 410013, China 
  • Received:2015-12-25 Revised:2016-03-26 Online:2016-06-29 Published:2016-04-12
  • Contact: #These authors contribute equally to this work. *Corresponding author. Tel.: +86-0731-82650371, E-mail:
  • Supported by:
    National Nature Science Foundation of China (Grant No. 21172268).


A series of 1,3-disubstituted-pyridin-4(1H)-one derivatives were synthesized. The results of a viability assay on NIH3T3 cells indicated that compound 3m potently inhibited the cell viability with an IC50 value of 2.0 μM. The 3D-quantitative structure-activity relationship analyses of 30 final molecules applying topomer CoMFA and AutoGPA methods gave two reasonable models with a cross-validated correlation coefficient q2 of 0.662 and 0.787, respectively. The achievement herein suggested the application of 3-hydroxypyridin-4(1H)-one as a novel scaffold for the discovery of anti-fibrosis agents. In addition, the QSAR and pharmacophore models established with the activity data may provide new insights into the structure optimization of pyridin-4(1H)-one derivative with potent anti-fibrotic effects.

Key words: Pyridin-4(1H)-one, QSAR, Anti-fibrosis agents

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