12/05/2017

Fleming researchers have identified two new dual inhibitors of TNF and RANKL, two key factors involved in inflammatory processes. These inhibitors can be further optimized to develop improved treatments for a range of inflammatory, autoimmune, and bone loss diseases (PubMed, Ηighlights in international press).

Using a new drug screening approach that combines structure-based with ligand-based in silico modeling, Fleming Researches have identified and confirmed the therapeutic potential of two small molecules targeting TNF (Tumor Necrosis Factor), a key player implicated in the pathogenesis of multiple sclerosis, rheumatoid arthritis, Crohn's disease, psoriasis and other diseases. These compounds, namely T8 and T23, also inhibit RANKL, a second protein involved in inflammatory processes, that shares molecular characteristics with TNF. T8 and T23 constitute the second and third published examples of dual small-molecule direct function inhibitors of TNF and RANKL. The molecules can be further optimized to develop improved treatments for a range of inflammatory, autoimmune, and bone loss diseases.

The study, titled “Cheminformatics-aided discovery of small-molecule Protein-Protein Interaction (PPI) dual inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL)” has been published in PLoS Computational Biology. The study has been highlighted in EurekaAlert, Rheumatoid Arthritis News and Multiple Sclerosis News Today.

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