Title:QSAR Studies to Predict Activity of HSP90 Inhibitors
Volume: 21
Issue: 25
Author(s): Vaishali M. Patil*, Neeraj Masand, Satya P. Gupta and Brian S. J. Blagg
Affiliation:
- Department of Pharmaceutical Chemistry, KIET School of Pharmacy, KIET Group of Institutions, Delhi-NCR, Ghaziabad, Uttar Pradesh,India
Keywords:
HSP90 inhibitor, Anticancer, QSAR, 3D QSAR, MLR, Anticancer agents.
Abstract: Heat shock protein 90 (HSP90) is a multichaperone complex that mediates the maturation
and stability of a variety of oncogenic signaling proteins. HSP90 has emerged as a promising target
for the development of anticancer agents. Heterocyclic chemical moieties with HSP90 inhibitory
activity were studied continuously during the last decades, and resulting data were applied by medicinal
chemists to design and develop new drugs. Their structure-activity relationship (SAR) studies and
QSAR models have been derived to assist the current drug development process. The QSAR models
are obtained via multiple linear regression (MLR) and non-linear approaches. Interpretation of the
reported model highlights the core template required to design novel, potent HSP90 inhibitors to be
used as anticancer agents.
