A Review on PARP1 Inhibitors: Pharmacophore Modeling, Virtual and Biological Screening Studies to Identify Novel PARP1 Inhibitors

Author(s): Sardar Shamshair Singh, Jagarlapudi A.R.P. Sarma, Lakshmi Narasu, Raveendra Dayam, Shili Xu, Nouri Neamati

Journal Name: Current Topics in Medicinal Chemistry

Volume 14 , Issue 17 , 2014

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Graphical Abstract:


A tremendous research on Poly (ADP-ribose) polymerase (PARP) pertaining to cancer and ischemia is in very rapid progress. PARP’s are a specific class of enzymes that repairs the damaged DNA. Recent findings suggest also that PARP-1 is the most abundantly expressed nuclear enzyme which involves in various therapeutic areas like inflammation, stroke, cardiac ischemia, cancer and diabetes. The current review describes the overview on clinical candidates of PARP1 and its current status in clinical trials. This paper also covers identification of potent PARP1 inhibitors using structure and ligand based pharmacophore models. Finally 36 potential hits were identified from the virtual screening of pharmacophore models and screened for PARP1 activity. 15 actives were identified as potent PARP1 inhibitors and further optimization of these analogues are in progress.

Keywords: Cancer, docking, glide, PARP1, pharmacophore, virtual screening.

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Article Details

Year: 2014
Page: [2020 - 2030]
Pages: 11
DOI: 10.2174/1568026614666140929152123
Price: $65

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