Drug Design for KU86 in DNA Break Repair System

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 highes...

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Bibliographic Details
Published in2009 2nd International Conference on Biomedical Engineering and Informatics pp. 1 - 4
Main Authors 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, Chen, C.Y.-C.
Format Conference Proceeding
LanguageEnglish
Published IEEE 01.10.2009
Subjects
Asia
Cancer
DNA
Drugs
Hospitals
Inhibitors
Piecewise linear techniques
Proteins
Protocols
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ISBN9781424441327
1424441323
ISSN1948-2914
DOI10.1109/BMEI.2009.5303772

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Summary: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.
ISBN:9781424441327
1424441323
ISSN:1948-2914
DOI:10.1109/BMEI.2009.5303772