Jump to main content
Jump to site search

Issue 6, 2013
Previous Article Next Article

Discovery of novel inhibitors for human farnesyltransferase (hFTase) via structure-based virtual screening

Author affiliations

Abstract

In this study, 22 novel hFTase inhibitors containing 18 scaffolds were identified with IC50 values ranging from 0.0119 to 13.35 μM by structure-based virtual screening, and compounds 2, 7, 9, 10, 14 and 15 showed moderate antiproliferative activity against MCF-7 cells. In particular, compound 2 was the most promising lead compound with nanomolar activity against FTase and antiproliferative activity in the low micromolar range. Possible binding modes of the hit compounds were explored and their structure–activity relationships (SAR) were elucidated by molecular docking simulation. The hit compounds discovered in this work will provide novel scaffolds for further hit-to-lead optimization and lay the foundation for further development of therapeutic candidates for cancer treatments.

Graphical abstract: Discovery of novel inhibitors for human farnesyltransferase (hFTase) via structure-based virtual screening

Back to tab navigation

Supplementary files

Publication details

The article was received on 21 Feb 2013, accepted on 10 Apr 2013 and first published on 10 Apr 2013


Article type: Concise Article
DOI: 10.1039/C3MD00058C
Med. Chem. Commun., 2013,4, 962-971

  •   Request permissions

    Discovery of novel inhibitors for human farnesyltransferase (hFTase) via structure-based virtual screening

    X. Yu, X. Zhao, L. Zhu, C. Zou, X. Liu, Z. Zhao, J. Huang and H. Li, Med. Chem. Commun., 2013, 4, 962
    DOI: 10.1039/C3MD00058C

Search articles by author

Spotlight

Advertisements