Drug Design for KU86 in DNA Break Repair System

• Published in: 2009 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
• Language: English
• Published: IEEE 01.10.2009
• Subjects: Asia; Cancer; DNA; Drugs; Hospitals; Inhibitors; Piecewise linear techniques; Proteins; Protocols
• ISBN: 9781424441327; 1424441323
• ISSN: 1948-2914
• DOI: 10.1109/BMEI.2009.5303772

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.