3D-QSAR Studies on Thiazolidin-4-one S1P1 Receptor Agonists by CoMFA and CoMSIA

  title={3D-QSAR Studies on Thiazolidin-4-one S1P1 Receptor Agonists by CoMFA and CoMSIA},
  author={Chuiwen Qian and Junxia Zheng and Gaokeng Xiao and Jialiang Guo and Zhaoqi Yang and Li Huang and Wei Han Chao and Longyi Rao and Pinghua Sun},
  booktitle={International journal of molecular sciences},
Selective S1P(1) receptor agonists have therapeutic potential to treat a variety of immune-mediated diseases. A series of 2-imino-thiazolidin-4-one derivatives displaying potent S1P(1) receptor agonistic activity were selected to establish 3D-QSAR models using CoMFA and CoMSIA methods. Internal and external cross-validation techniques were investigated as well as some measures including region focusing, progressive scrambling, bootstraping and leave-group-out. The satisfactory CoMFA model… CONTINUE READING


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