In recent years, numerous changes have been made in the field of cancer research with the progresses of molecular
biology, chemoinformatics and chemogenomics. Several new biomolecular targets have been identified, and investigated
for new drug discovery. In the current article, we discuss the role of pharmacophore mapping and pharmacophorebased
virtual screening (PBVS) approaches for identification of novel anticancer hits. It showed that pharmacophorebased
studies were performed for almost every type of anticancer agents. However, such applications are clustered on
finding novel hits for a few targets like cancer-related hormones, kinase enzymes and other less investigated targets. Some
reports were found with virtual hits experimentally validated against respective targets. These were thoroughly described
and the novel hits were pointed out. Others with PBVS of anticancer targets were also discussed and the identified features
were highlighted. Present review showed that PBVS may serve as a true lead generator if it is performed in a unified
fashion that combines in silico techniques with experimental validation. With enormous progresses in computational
methods as well as molecular biology, it is expected that pharmacophore-based drug discovery strategy will aid in significant
upsurge in the field of cancer chemotherapy in near future.
Keywords: Cancer, Cheminformatics, Pharmacophore mapping, Virtual screening, Kinase, Lead identification.
Rights & PermissionsPrintExport