Jump to main content
Jump to site search

Issue 3, 2016
Previous Article Next Article

Fragment pharmacophore-based in silico screening: a powerful approach for efficient lead discovery

Author affiliations

Abstract

Through a process of fragmentation, functionalization, and recombination of market approved molecules for cosmetic usage, we customized an in-house virtual library comprising molecules ideally suited for virtual screening. Computational pharmacophore-based screening of this virtual library followed by a 3 month optimization phase led to the identification of an optimized lead with all its expected properties in hand to be developed as a candidate molecule for skin care in cosmetic applications. The success of this pilot project paves the way for other cosmetic targets of interest.

Graphical abstract: Fragment pharmacophore-based in silico screening: a powerful approach for efficient lead discovery

Back to tab navigation

Supplementary files

Publication details

The article was received on 05 Oct 2015, accepted on 28 Dec 2015 and first published on 04 Jan 2016


Article type: Research Article
DOI: 10.1039/C5MD00444F
Citation: Med. Chem. Commun., 2016,7, 506-511
  •   Request permissions

    Fragment pharmacophore-based in silico screening: a powerful approach for efficient lead discovery

    L. Deyon-Jung, C. Morice, F. Chéry, J. Gay, T. Langer, M. Frantz, R. Rozot and M. Dalko-Csiba, Med. Chem. Commun., 2016, 7, 506
    DOI: 10.1039/C5MD00444F

Search articles by author

Spotlight

Advertisements