A novel strategy for designing dual-target inhibitors of KU86 and XRCC4

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Title:	A novel strategy for designing dual-target inhibitors of KU86 and XRCC4
Authors:	Chen, Chien-Yu;Tsai, Fuu-Jen;Chung, Jing-Gung;Tsai, Chang-Hai;Hsu, Yuan-Man;Huang, Hung-Jin;Ho, Tin-Yun;Chang, Yea-Huey;Bau, Da-Tian;Tsai, Ming-Hsui;Chen, Calvin Yu-Chian
Contributors:	Department of Bioinformatics
Keywords:	Binding energy;Binding sites;Biochemistry;Biomedical engineering;DNA;Docking;Targets;Anticancer drug;Anticancer drug discovery;Core structure;Cross validation;DNA complex;Myricetin;New strategy;Non-homologous end joining (NHEJ);Nonhomologous end joining;Novel strategies;Repair system
Date:	2009
Issue Date:	2010-04-08 20:06:03 (UTC+8)
Publisher:	Asia University
Abstract:	This is the first time that we reported about dual target inhibitors of KU86 and XRCC4. XRCC4 was well known as the downstream of KU86-DNA complex. They both play an important role in the DNA double-strain breaks (DSBs) repair system subpathway, non-homologous end joining (NHEJ).In this study, The protocol of docking analysis was applied to find the specific compounds, which had highest affinities to KU86 and XRCC4, from our database. The docking results were analyzed by cross validation. From the results above, myricetin and xanthone series had quietly the same core structure. The different shapes of binding sites from the two proteins might be the major factor to different affinities from these three potent dual-target inhibitors. Our work provides a new strategy for developing dual-target anticancer drug, and may contribute to clinical anticancer drug discovery and application. ©2009 IEEE.
Relation:	Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009
Appears in Collections:	[生物資訊與醫學工程學系 ] 會議論文

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