Computer-assisted identification of small-molecule Bcl-2 modulators
Authors
- M. Fuellbeck
- N. Gebhardt
- J. Hossbach
- P.T. Daniel
- R. Preissner
Journal
- Computational Biology and Chemistry
Citation
- Comput Biol Chem 33 (6): 451-456
Abstract
Apoptosis, the programmed cell death, is a highly regulated process, necessary for normal development and homeostasis of the functions of organisms. The Bcl-2 inhibitors BH3I-1 and BH3I-2 were used as lead compounds to find possible Bcl-2 or Bcl-X(L) inhibitors by using computer-assisted screening with our in-house database, containing more than four million commercially available molecules. Identified compounds were further investigated regarding their possible application as a drug.