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Hypothetical Drug Binding Receptor Site Analysis Using CoMFA Method for 3-Arylisoquinolines Active against SK-OV-3 Tumor Cell Line  

김의기 (전남대학교 약학대학)
민선영 (전남대학교 약학대학)
정병호 (전남대학교 약학대학)
천승훈 (전남대학교 약학대학)
최보길 (전남대학교 약학대학)
조원제 (전남대학교 약학대학)
Publication Information
YAKHAK HOEJI / v.46, no.4, 2002 , pp. 219-225 More about this Journal
Abstract
We have performed a 3D-QSAR/CoMFA analysis of the cytotoxic activities of thirty-five 3-arylisoquinoline derivatives against SK-OV-3 tumor cell line. The results suggested that the electrostatic, steric and hydrophobic factors of 3-arylisoquinolines were strongly correlated with the antitumor activity. Considerable predictive ability (cross-validated r2 as high as 0.841) was obtained through CoMFA.
Keywords
3D-QSAR; CoMFA; 3-Arylisoquinolines; SK-OV-3; Cytotoxicity;
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