한국생물정보학회:학술대회논문집 (Proceedings of the Korean Society for Bioinformatics Conference)
- 한국생물정보시스템생물학회 2004년도 The 3rd Annual Conference for The Korean Society for Bioinformatics Association of Asian Societies for Bioinformatics 2004 Symposium
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- Pages.210-218
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- 2004
PARP-1 억제제의 Docking 및 QSAR 연구
Docking and QSAR studies of PARP-1 Inhibitors
- Kim, Hye-Jung (Biochemical Research Center, Korea Institute of Science and Technology) ;
- Cho, Seung-Joo (Biochemical Research Center, Korea Institute of Science and Technology)
- 발행 : 2004.11.04
초록
Poly(ADP-ribose)polymerase-1 (PARP-1) is a nuclear enzyme involved in various physical functions related to genomic repair, and PARP inhibitors have therapeutic application in a variety of neurological diseases. Docking and the QSAR (quantitative structure-activity relationships) studies for 52 PARP-1 inhibitors were conducted using FlexX algorithm, comparative molecular field analysis (CoMFA), and hologram quantitative structure-activity relationship analysis (HQSAR). The resultant FlexX model showed a reasonable correlation (r
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