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A review on PARP1 inhibitors: Pharmacophore modeling, virtual and biological screening studies to identify novel PARP1 inhibitors.
Curr Top Med Chem. 2014; 14(17):2020-30.CT

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.

Authors+Show Affiliations

Singh SS
No affiliation info available
Sarma JA
No affiliation info available
Narasu L
No affiliation info available
Dayam R
No affiliation info available
Xu S
No affiliation info available
Neamati N
GVK Biosciences Pvt. Ltd., Plot No 79, IDA, Mallapur, Hyderabad 500076, Andhra Pradesh, India. shamshairsingh@gmail.com.

MeSH

Clinical Trials as TopicEnzyme InhibitorsHumansMolecular Docking SimulationPoly (ADP-Ribose) Polymerase-1Poly(ADP-ribose) Polymerase InhibitorsPoly(ADP-ribose) Polymerases

Pub Type(s)

Journal Article
Review

Language

eng

PubMed ID

25262797

Citation

Singh, Sardar Shamshair, et al. "A Review On PARP1 Inhibitors: Pharmacophore Modeling, Virtual and Biological Screening Studies to Identify Novel PARP1 Inhibitors." Current Topics in Medicinal Chemistry, vol. 14, no. 17, 2014, pp. 2020-30.
Singh SS, Sarma JA, Narasu L, et al. A review on PARP1 inhibitors: Pharmacophore modeling, virtual and biological screening studies to identify novel PARP1 inhibitors. Curr Top Med Chem. 2014;14(17):2020-30.
Singh, S. S., Sarma, J. A., Narasu, L., Dayam, R., Xu, S., & Neamati, N. (2014). A review on PARP1 inhibitors: Pharmacophore modeling, virtual and biological screening studies to identify novel PARP1 inhibitors. Current Topics in Medicinal Chemistry, 14(17), 2020-30.
Singh SS, et al. A Review On PARP1 Inhibitors: Pharmacophore Modeling, Virtual and Biological Screening Studies to Identify Novel PARP1 Inhibitors. Curr Top Med Chem. 2014;14(17):2020-30. PubMed PMID: 25262797.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - A review on PARP1 inhibitors: Pharmacophore modeling, virtual and biological screening studies to identify novel PARP1 inhibitors. AU - Singh,Sardar Shamshair, AU - Sarma,Jagarlapudi A R P, AU - Narasu,Lakshmi, AU - Dayam,Raveendra, AU - Xu,Shili, AU - Neamati,Nouri, PY - 2014/01/28/received PY - 2014/03/14/revised PY - 2014/05/18/accepted PY - 2014/9/30/entrez PY - 2014/9/30/pubmed PY - 2015/6/20/medline SP - 2020 EP - 30 JF - Current topics in medicinal chemistry JO - Curr Top Med Chem VL - 14 IS - 17 N2 - 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. SN - 1873-4294 UR - https://www.unboundmedicine.com/medline/citation/25262797/A_review_on_PARP1_inhibitors:_Pharmacophore_modeling_virtual_and_biological_screening_studies_to_identify_novel_PARP1_inhibitors_ DB - PRIME DP - Unbound Medicine ER -