1383627-72-2Relevant academic research and scientific papers
Identification of novel inhibitors of p53-MDM2 interaction facilitated by pharmacophore-based virtual screening combining molecular docking strategy
Wang, Weisi,Zhu, Xiaolei,Hong, Xueqin,Zheng, Lin,Zhu, Hong,Hu, Yongzhou
, p. 411 - 416 (2013)
3D pharmacophore models for inhibitors of p53-MDM2 interaction were developed. The pharmacophore-based virtual screening of an in-house compound database combined with docking studies led to the identification of compound MCL0527 as a novel lead (MDM2 binding IC50 = 4.23 μM). Initial structure optimization yielded some derivatives with improved p53-MDM2 binding inhibitory activities. Furthermore, all target compounds showed potent anti-proliferative effect against human tumor cell lines with a generally selective profile on wild-type p53 cell lines. The Royal Society of Chemistry.
