virtual screening

With the advent of senolytic agents, capable of selectively removing senescent cells in “aged” tissues, the perception of age-associated diseases has changed from being an inevitable to a preventable phenomenon of human life. The present invention is part of this research topic with the identification of molecules with potential pro-apoptotic activity, specifically with senolytic activity. The computational approach adopted, is based on combining ligand-base and structure-based virtual screening.

Therapeutic strategies targeting cell cycle in cancer have in general failed in the clinic since the drugs have lacked the therapeutic index required to achieve a robust response against cancer cells with little or no cytotoxic effect on normal cells. NEK6 kinase, which is implicated in cell cycle control, has recently emerged as an attractive target for the development of novel anticancer drugs with enhanced therapeutic index.