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Comparison of QSAR methods (CoMFA, CoMSIA, HQSAR) of anticancer 1-N-substituted imidazoquinoiine-4,9-dione derivatives
- Title
- Comparison of QSAR methods (CoMFA, CoMSIA, HQSAR) of anticancer 1-N-substituted imidazoquinoiine-4,9-dione derivatives
- Authors
- Suh, ME; Park, SY; Lee, HJ
- Ewha Authors
- 서명은
- SCOPUS Author ID
- 서명은
- Issue Date
- 2002
- Journal Title
- BULLETIN OF THE KOREAN CHEMICAL SOCIETY
- ISSN
- 0253-2964
- Citation
- BULLETIN OF THE KOREAN CHEMICAL SOCIETY vol. 23, no. 3, pp. 417 - 422
- Keywords
- -N-substituted imidazoquinoline-4,9-dione derivative; Comparative Molecular Field Analysis (CoMFA); Comparative Molecular Similarity Indices Analysis (CoMSIA); Hologram Quantitative Structure Activity Relationship (HQSAR); human ovarian cancer cell
- Publisher
- KOREAN CHEMICAL SOC
- Indexed
- SCI; SCIE; SCOPUS; KCI
- Document Type
- Article
- Abstract
- Comparison studies of the Quantitative Structure Activity Relationship (QSAR) methods with new imidazo-quinolinedione derivatives were conducted using Comparative Molecular Field Analysis (CoMFA), Comparative Molecular Similarity Indices Analysis (CoMSIA), and the Hologram Quantitative Structure Activity Relationship (HQSAR). When the CoMFA crossvalidation value. q(2), was 0.625, the Pearson correlation coefficient, r(2), was 0.973. In CoMSIA, q(2) was 0.52 and r(2) was 0.979. In the HQSAR, q(2) was 0.501 and r(2) was 0.924. The best result was obtained using the CoMSIA method according to a comparison of the calculated values with the real in vitro cytotoxic activities against human ovarian cancer cell lines.
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- 약학대학 > 약학과 > Journal papers
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