Ensemble-Based Virtual Screening and Experimental Validation of Inhibitors Targeting a Novel Site of Human DNMT1.

@article{Joshi2016EnsembleBasedVS,
  title={Ensemble-Based Virtual Screening and Experimental Validation of Inhibitors Targeting a Novel Site of Human DNMT1.},
  author={Manali Joshi and Shriram N. Rajpathak and Santosh C. Narwade and Deepti D. Deobagkar},
  journal={Chemical biology & drug design},
  year={2016},
  volume={88 1},
  pages={
          5-16
        }
}
Human DNA methyltransferase1 (hDNMT1) is responsible for preserving DNA methylation patterns that play important regulatory roles in differentiation and development. Misregulation of DNA methylation has thus been linked to many syndromes, life style diseases, and cancers. Developing specific inhibitors of hDNMT1 is an important challenge in the area since the currently targeted cofactor and substrate binding site share structural features with various proteins. In this work, we generated a… CONTINUE READING