Structure-activity studies of PTPRD phosphatase inhibitors identify a 7-cyclopentymethoxy illudalic acid analog candidate for development

2021 ◽  
pp. 114868
Author(s):  
Ian M. Henderson ◽  
Fanxun Zeng ◽  
Nazmul H. Bhuiyan ◽  
Dan Luo ◽  
Maria Martinez ◽  
...  
Keyword(s):  
Phosphatase Inhibitors ◽  
Structure Activity ◽  
Acid Analog

scholarly journals Identification of Potent VHZ Phosphatase Inhibitors with Structure-Based Virtual Screening

2012 ◽  
Vol 18 (2) ◽  
pp. 226-231 ◽  
Author(s):  
Hwangseo Park ◽  
So Ya Park ◽  
Jung Jin Oh ◽  
Seong Eon Ryu
Keyword(s):  
Virtual Screening ◽  
Active Site ◽  
Structural Features ◽  
Drug Candidate ◽  
The Novel ◽  
Anticancer Activities ◽  
Phosphatase Inhibitors ◽  
Structure Activity ◽  
Promising Target ◽  
Further Development

VH1-like phosphatase Z (VHZ) has proved to be a promising target for the development of therapeutics for the treatment of human cancers. Here, we report the first example for a successful application of structure-based virtual screening to identify the novel small-molecule inhibitors of VHZ. These inhibitors revealed high potencies with the associated IC50 values ranging from 3 to 20 µM and were also screened for having desirable physicochemical properties as a drug candidate. Therefore, they deserve consideration for further development by structure-activity relationship studies to optimize inhibitory and anticancer activities. Structural features relevant to the stabilization of the newly identified inhibitors in the active site of VHZ are discussed in detail.

Sign in / Sign up

Export Citation Format

Share Document