A novel aminopeptidase N inhibitor developed by virtual screening approach.

@article{Feng2012ANA,
  title={A novel aminopeptidase N inhibitor developed by virtual screening approach.},
  author={Jinhong Feng and Kang Jin and Huawei Zhu and Xiaopan Zhang and Lei Zhang and Jianhua Liu and Wenfang Xu},
  journal={Bioorganic & medicinal chemistry letters},
  year={2012},
  volume={22 18},
  pages={5863-9}
}
A virtual screening was performed to discover novel lead structures as potent aminopeptidase N(APN) inhibitors. A commercial database containing about 1,60,000 molecules in SPECS was filtered by rule of five, zinc binding groups, pharmacophore models and binding pattern analysis. At last, 24 molecules were selected for enzyme inhibition assay and compound 2 exhibited the inhibition constant (K(i)) of 2.79±0.32 μM against APN compared with Bestatin (K(i)= 3.37±0.24 μM). Our results indicated… CONTINUE READING