Details

Autor(en) / Beteiligte

• Deyon-Jung, Laurence
• Morice, Christophe
• Chéry, Florence
• Gay, Julie
• Langer, Thierry
• Frantz, Marie-Céline
• Rozot, Roger
• Dalko-Csiba, Maria

Titel

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

Ist Teil von

• MedChemComm, 2016-03, Vol.7 (3), p.506-511

Erscheinungsjahr

2016

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• 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.