Drug Design for KU86 in DNA Break Repair System

Author

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

Author_Institution

Dept. of Biol. Sci. & Technol., China Med. Univ., Taichung, Taiwan

fYear

2009

fDate

17-19 Oct. 2009

Firstpage

1

Lastpage

4

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; drugs; molecular biophysics; Cycloheterophyllin; DNA break repair system; KU86; TCM database; XRCC4; docking analysis; drug design; hydrogen bond; xanthone-11; xanthone-12; xanthone-9; Asia; Cancer; DNA; Databases; Drugs; Hospitals; Inhibitors; Piecewise linear techniques; Proteins; Protocols;

fLanguage

English

Publisher

ieee

Conference_Titel

Biomedical Engineering and Informatics, 2009. BMEI '09. 2nd International Conference on

Conference_Location

Tianjin

Print_ISBN

978-1-4244-4132-7

Electronic_ISBN

978-1-4244-4134-1

Type

conf

DOI

10.1109/BMEI.2009.5303772

Filename

5303772