Abstract
The cell-division cycle plays an important role in the progression of tumorigenesis, and it is a major target of cancer therapy. Despite the advancements of rational drug discovery, new cell-cycle modulators continuously fail to meet safety criteria due to issues associated with efficacy, toxicity, and adverse events. On the other hand, in silico drug repurposing represents a promising direction for the identification of safer and more effective medicines. Here we review the basic principles of cell-cycle control in the treatment of cancer and provide an overview of the broad spectrum state-of-the-art computational techniques for drug repositioning using chemoinformatics, structural bioinformatics, bioactivity profiling, and phenotype analysis. Finally, we discuss several challenges of current in silico drug-repositioning approaches and suggest future directions to guide further development in this emerging field of cancer drug discovery and research.
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