A5, a new small-molecule inhibitor of CD4 D1 obtained from a computer-aided screening method, contributes to the inhibition of CD4+ T-cell function.

@article{Xiao2007A5AN,
  title={A5, a new small-molecule inhibitor of CD4 D1 obtained from a computer-aided screening method, contributes to the inhibition of CD4+ T-cell function.},
  author={He Xiao and Jian-nan Feng and Zu-yin Yu and Lei Zhang and Ming Yu and Xin-hua He and Song Li and Bei-fen Shen and Yan Li},
  journal={Journal of biomolecular screening},
  year={2007},
  volume={12 6},
  pages={800-8}
}
In this study, the authors apply a computer-based strategy to screen thousands of small-molecule, nonpeptidic organic compounds in the Available Chemicals Directory database and to select a series of potential candidates as ligands of the proposed CD4 D1 surface pocket. Then, several cell-based models are used to determine the actual biological functions of these compounds. A small molecule designated A5 (N-((pyridine-4-yl)methylene)thiophene-2-carbohydrazide) was obtained by a virtual… CONTINUE READING