Drug design for KU86 in DNA break repair system

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

doi:10.1109/BMEI.2009.5303772

Drug design for KU86 in DNA break repair system

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

^*Corresponding author for this work

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

Abstract

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, nonhomologous end joining (NHEJ).In this study, The protocol of docking analysis was applied to find the specific compounds, which had highest affinities to KU86 from our TCM database. The docking results were analyzed to point out potent compounds. Xanthone-9, xanthone-11, 12, and Cycloheterophyllin were suggested as leading compounds for drug design by hydrogen bonds forming on Arg403 in Ku70 and Arg400 in Ku80 Then, xanthone-11 was selected to the protocol of de novo evolution. The diversities of xanthone-11 had 10 kinds of the result of de novo evolution. We suggested that the diversities could be the potent compounds of inhibitors for KU86.

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.2009.5303772
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-strand breaks (DSBs)
KU86
Traditional Chinese medicine (TCM)

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10.1109/BMEI.2009.5303772

Cite this

Chen, C. Y., Bau, D. T., Tsai, M. H., Hsu, Y. M., Ho, T. Y., Huang, H. J., Chang, Y. H., Tsai, F. J., Tsai, C. H., & Chen, C. Y. C. (2009). Drug design for KU86 in DNA break repair system. In Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009 Article 5303772 (Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009). https://doi.org/10.1109/BMEI.2009.5303772

@inproceedings{5b09534f24f3456dbdab3e597870f690,

title = "Drug design for KU86 in DNA break repair system",

abstract = "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, nonhomologous end joining (NHEJ).In this study, The protocol of docking analysis was applied to find the specific compounds, which had highest affinities to KU86 from our TCM database. The docking results were analyzed to point out potent compounds. Xanthone-9, xanthone-11, 12, and Cycloheterophyllin were suggested as leading compounds for drug design by hydrogen bonds forming on Arg403 in Ku70 and Arg400 in Ku80 Then, xanthone-11 was selected to the protocol of de novo evolution. The diversities of xanthone-11 had 10 kinds of the result of de novo evolution. We suggested that the diversities could be the potent compounds of inhibitors for KU86.",

keywords = "DNA double-strand breaks (DSBs), KU86, Traditional Chinese medicine (TCM)",

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

year = "2009",

doi = "10.1109/BMEI.2009.5303772",

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, Bau, DT, Tsai, MH, Hsu, YM, Ho, TY, Huang, HJ, Chang, YH, Tsai, FJ, Tsai, CH & Chen, CYC 2009, Drug design for KU86 in DNA break repair system. in Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009., 5303772, 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.2009.5303772

Drug design for KU86 in DNA break repair system. / Chen, Chien Yu; Bau, Da Tian; Tsai, Ming Hsui et al.
Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009. 2009. 5303772 (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 - Drug design for KU86 in DNA break repair system

AU - Chen, Chien Yu

AU - Bau, Da Tian

AU - Tsai, Ming Hsui

AU - Hsu, Yuan Man

AU - Ho, Tin Yun

AU - Huang, Hung Jin

AU - Chang, Yea Huey

AU - Tsai, Fuu Jen

AU - Tsai, Chang Hai

AU - Chen, Calvin Yu Chian

PY - 2009

Y1 - 2009

N2 - 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, nonhomologous end joining (NHEJ).In this study, The protocol of docking analysis was applied to find the specific compounds, which had highest affinities to KU86 from our TCM database. The docking results were analyzed to point out potent compounds. Xanthone-9, xanthone-11, 12, and Cycloheterophyllin were suggested as leading compounds for drug design by hydrogen bonds forming on Arg403 in Ku70 and Arg400 in Ku80 Then, xanthone-11 was selected to the protocol of de novo evolution. The diversities of xanthone-11 had 10 kinds of the result of de novo evolution. We suggested that the diversities could be the potent compounds of inhibitors for KU86.

AB - 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, nonhomologous end joining (NHEJ).In this study, The protocol of docking analysis was applied to find the specific compounds, which had highest affinities to KU86 from our TCM database. The docking results were analyzed to point out potent compounds. Xanthone-9, xanthone-11, 12, and Cycloheterophyllin were suggested as leading compounds for drug design by hydrogen bonds forming on Arg403 in Ku70 and Arg400 in Ku80 Then, xanthone-11 was selected to the protocol of de novo evolution. The diversities of xanthone-11 had 10 kinds of the result of de novo evolution. We suggested that the diversities could be the potent compounds of inhibitors for KU86.

KW - DNA double-strand breaks (DSBs)

KW - KU86

KW - Traditional Chinese medicine (TCM)

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AN - SCOPUS:74049092723

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, Bau DT, Tsai MH, Hsu YM, Ho TY, Huang HJ et al. Drug design for KU86 in DNA break repair system. In Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009. 2009. 5303772. (Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009). doi: 10.1109/BMEI.2009.5303772

Drug design for KU86 in DNA break repair system

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