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Current Topics in Medicinal Chemistry

Editor-in-Chief

ISSN (Print): 1568-0266
ISSN (Online): 1873-4294

Review Article

QSAR Studies to Predict Activity of HSP90 Inhibitors

Author(s): Vaishali M. Patil*, Neeraj Masand, Satya P. Gupta and Brian S. J. Blagg

Volume 21 , Issue 25 , 2021

Published on: 10 October, 2021

Page: [2272 - 2291] Pages: 20

DOI: 10.2174/1568026621666211011095858

Price: $65

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.

Keywords: HSP90 inhibitor, Anticancer, QSAR, 3D QSAR, MLR, Anticancer agents.

Graphical Abstract

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