a College of Pharmacy, Chonnam National University, Yongbong-dong, Buk-gu, Kwangju 500-757, Korea
b Korea Research Institute Chemical Technology, DaeJeon, Korea
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.