E-mail

E-mail a Wiley Online Library Link

Steffen Lindert, Wei Zhu, Yi-Liang Liu, Ran Pang, Eric Oldfield and J. Andrew McCammon Farnesyl Diphosphate Synthase Inhibitors from In Silico Screening Chemical Biology & Drug Design 81

Article first published online: 25 MAY 2013 | DOI: 10.1111/cbdd.12121

Thumbnail image of graphical abstract

The relaxed complex scheme is an in silico drug screening method that accounts for receptor flexibility using molecular dynamics simulations. Here, we used this approach combined with similarity searches to identify several low micromolar, non-bisphosphonate inhibitors, bisamidines, of farnesyl diphosphate synthase (FPPS), an enzyme targeted by some anticancer and antimicrobial agents and for the treatment of bone resorption diseases. This novel class of FPPS inhibitors have more drug-like properties than existing bisphosphonate inhibitors, making them interesting pharmaceutical leads.

Complete the form below and we will send an e-mail message containing a link to the selected article on your behalf

Required = Required Field

Choose captcha format: Image or Audio. Click here if you need help.

SEARCH