In-silico screening of new potential Bcl-2/Bcl-xl inhibitors as apoptosis modulators
- Autori: Almerico, AM; Tutone, M; Lauria, A
- Anno di pubblicazione: 2009
- Tipologia: Articolo in rivista (Articolo in rivista)
- Parole Chiave: Apoptosis, Bcl-2, Bcl-xl, Inhibitors, Molecular docking
- OA Link: http://hdl.handle.net/10447/43936
One of the major problems in the fight against cancer is drug-resistance, which, at a molecular level, can be acquired through mutations able to deactivate apoptosis. In particular, proteins in the Bcl-2 family are central regulators of programmed cell death, and members that inhibit apoptosis, such as Bcl-xl and Bcl-2, are overexpressed in many tumours. The development of new inhibitors of these proteins as potential anticancer therapeutics represents a new frontier. In this work, we carried out an in-silico screening of compounds from a free database of more than 2 million structures (ZINC database), which allowed us to identify 17 sulfonamide derivatives as new potential inhibitors; these are currently undergoing biological evaluation.