Synthesis and comparative molecular field analysis (CoMFA) of antitumor 3-arylisoquinoline derivatives |
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Authors: | WJ Cho EK Kim MJ Park SU Choi CO Lee SH Cheon BG Choi BH Chung |
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Affiliation: | College of Pharmacy, Chonnam National University, Kwangju, Korea. wjcho@chonnam.chonnam.ac.kr |
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Abstract: | In this study a series of 3-arylisoquinoline derivatives were synthesized and cytotoxicity against human melanoma tumor cell evaluated, and a three dimensional quantitative structure-activity relationship was investigated using the comparative molecular field analysis (CoMFA). 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 0.721) was obtained through CoMFA. |
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