Pharmacophore-based screening and identification of novel human ligase I inhibitors with potential anti-cancer activity

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dc.contributor.author Krishna, Shagun
dc.contributor.author Singh, D K
dc.contributor.author Meena, Sanjeev
dc.contributor.author Datta, Dipak
dc.contributor.author Siddiqi, M I
dc.contributor.author Banerjee, Dibyendu
dc.date.accessioned 2014-08-05T11:02:11Z
dc.date.available 2014-08-05T11:02:11Z
dc.date.issued 2014
dc.identifier.citation Journal of Chemical Information and Modeling, 2014, 54 (3), 781–792 en
dc.identifier.uri http://hdl.handle.net/123456789/1344
dc.description.abstract Human DNA ligases are enzymes that are indispensable for DNA replication and repair processes. Among the three human ligases, ligase I is attributed to the ligation of thousands of Okazaki fragments that are formed during lagging strand synthesis during DNA replication. Blocking ligation therefore can lead to the accumulation of thousands of single strands and subsequently double strand breaks in the DNA, which is lethal for the cells. The reports of the high expression level of ligase I protein in several cancer cells (versus the low ligase expression level and the low rate of division of most normal cells in the adult body) support the belief that ligase I inhibitors can target cancer cells specifically with minimum side-effects to normal cells. Recent publications showing exciting data for a ligase IV inhibitor exhibiting anti-tumor activity in mouse models also strengthens the argument for ligases as valid anti-tumor targets. Keeping this in view, we performed a pharmacophore based screening for potential ligase inhibitors in the Maybridge small molecule library and procured some of the top ranking compounds for enzyme based and cell based in vitro screening. We report here the identification of novel ligase I inhibitors with potential anticancer activity against a colon cancer cell line. en
dc.format.extent 983282 bytes
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation.ispartofseries CSIR-CDRI Communication No. 8628 en
dc.subject Pharmacophore-Based Screening en
dc.subject Ligase Inhibitor en
dc.subject Molecular Docking en
dc.subject Anti-Cancer Agents en
dc.subject Molecular Modelling en
dc.title Pharmacophore-based screening and identification of novel human ligase I inhibitors with potential anti-cancer activity en
dc.type Article en


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