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

Chien Yu Chen; Fuu Jen Tsai; Jing Gung Chung; Chang Hai Tsai; Yuan Man Hsu; Hung Jin Huang; Tin Yun Ho; Yea Huey Chang; Da Tian Bau; Ming Hsui Tsai; Calvin Yu Chian Chen

doi:10.1109/BMEI.2009.5302325

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

Chien Yu Chen, Fuu Jen Tsai, Jing Gung Chung, Chang Hai Tsai, Yuan Man Hsu, Hung Jin Huang, Tin Yun Ho, Yea Huey Chang, Da Tian Bau, Ming Hsui Tsai, Calvin Yu Chian Chen

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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.

Original language	English
Title of host publication	Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009
DOIs	https://doi.org/10.1109/BMEI.2009.5302325
State	Published - 2009
Externally published	Yes
Event	2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009 - Tianjin, China Duration: 17 10 2009 → 19 10 2009

Publication series

Name	Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009

Conference

Conference	2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009
Country/Territory	China
City	Tianjin
Period	17/10/09 → 19/10/09

Keywords

DNA double-strain breaks (DSBs)
KU86
Non-homologous end joining (NHEJ)
XRCC4

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10.1109/BMEI.2009.5302325

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Chen, C. Y., Tsai, F. J., Chung, J. G., Tsai, C. H., Hsu, Y. M., Huang, H. J., Ho, T. Y., Chang, Y. H., Bau, D. T., Tsai, M. H., & Chen, C. Y. C. (2009). A novel strategy for designing dual-target inhibitors of KU86 and XRCC4. In Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009 Article 5302325 (Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009). https://doi.org/10.1109/BMEI.2009.5302325

@inproceedings{c6ce96d6d21848aa80f781efdb6259a8,

title = "A novel strategy for designing dual-target inhibitors of KU86 and XRCC4",

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.",

keywords = "DNA double-strain breaks (DSBs), KU86, Non-homologous end joining (NHEJ), XRCC4",

author = "Chen, {Chien Yu} and Tsai, {Fuu Jen} and Chung, {Jing Gung} and Tsai, {Chang Hai} and Hsu, {Yuan Man} and Huang, {Hung Jin} and Ho, {Tin Yun} and Chang, {Yea Huey} and Bau, {Da Tian} and Tsai, {Ming Hsui} and Chen, {Calvin Yu Chian}",

year = "2009",

doi = "10.1109/BMEI.2009.5302325",

language = "英语",

isbn = "9781424441341",

series = "Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009",

booktitle = "Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009",

note = "2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009 ; Conference date: 17-10-2009 Through 19-10-2009",

}

Chen, CY, Tsai, FJ, Chung, JG, Tsai, CH, Hsu, YM, Huang, HJ, Ho, TY, Chang, YH, Bau, DT, Tsai, MH & Chen, CYC 2009, A novel strategy for designing dual-target inhibitors of KU86 and XRCC4. in Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009., 5302325, Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009, 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009, Tianjin, China, 17/10/09. https://doi.org/10.1109/BMEI.2009.5302325

A novel strategy for designing dual-target inhibitors of KU86 and XRCC4. / Chen, Chien Yu; Tsai, Fuu Jen; Chung, Jing Gung et al.
Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009. 2009. 5302325 (Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - A novel strategy for designing dual-target inhibitors of KU86 and XRCC4

AU - Chen, Chien Yu

AU - Tsai, Fuu Jen

AU - Chung, Jing Gung

AU - Tsai, Chang Hai

AU - Hsu, Yuan Man

AU - Huang, Hung Jin

AU - Ho, Tin Yun

AU - Chang, Yea Huey

AU - Bau, Da Tian

AU - Tsai, Ming Hsui

AU - Chen, Calvin Yu Chian

PY - 2009

Y1 - 2009

N2 - 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.

AB - 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.

KW - DNA double-strain breaks (DSBs)

KW - KU86

KW - Non-homologous end joining (NHEJ)

KW - XRCC4

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U2 - 10.1109/BMEI.2009.5302325

DO - 10.1109/BMEI.2009.5302325

M3 - 会议稿件

AN - SCOPUS:74049138297

SN - 9781424441341

T3 - Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009

BT - Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009

T2 - 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009

Y2 - 17 October 2009 through 19 October 2009

ER -

Chen CY, Tsai FJ, Chung JG, Tsai CH, Hsu YM, Huang HJ et al. A novel strategy for designing dual-target inhibitors of KU86 and XRCC4. In Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009. 2009. 5302325. (Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009). doi: 10.1109/BMEI.2009.5302325

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

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