Drug Design Platform

Peptinov’s drug design platform has been successfully applied to several cytokines. It is currently leading to the identification of new inhibitors.

The efficiency of this platform has already been validated and can potentially be applied to any cytokine. This approach is a time-saving and cost-effective way to identify novel protein-protein inhibitors.

drugdesign_schema (1)

Peptinov’s drug design platform


Peptinov develops small molecule inhibitors of cytokines using the in silico drug design approach.

This approach is based on the virtual screening of small molecules taken from chemo-libraries (containing 1 million molecules) using the latest molecular modelling tools. The small molecules are screened against potential inhibition pockets taken from the 3D structure of the targeted cytokine.

This approach obtains approximately 1000 hit compounds from a chemical library of over 1 million molecules. This reduces identification time and concentrates testing on promising candidates.

Selected compounds are evaluated using in vitro biochemical and cellular assessments. The best compounds are then evaluated in vivo in animal models.


Ben Nasr et al. Comparative evaluation of 3D virtual ligand screening methods: impact of the molecular alignment on enrichment. J Chem Inf Model. 2010 Jun 28;50(6):992-1004. PMID: 20527883.

Oprea TI & Matter H. Integrating virtual screening in lead discovery. Curr Opin Chem Biol. 2004 Aug;8(4):349-58. PMID: 15288243.

Mouhsine H et al. Identification of an in vivo orally active dual-binding protein-protein interaction inhibitor targeting TNFα through combined in silico/in vitro/in vivo screening. Sci Rep. 2017 Jun 13;7(1):3424. doi: 10.1038/s41598-017-03427-z. PMID: 28611375