Synthesis and comparative molecular field analysis (CoMFA) of antitumor 3-arylisoquinoline derivatives

Authors
Cho, WJ Kim, EK Park, MJ Choi, SU Lee, CO Cheon, SH Choi, BG Chung, BH
Citation
Wj. Cho et al., Synthesis and comparative molecular field analysis (CoMFA) of antitumor 3-arylisoquinoline derivatives, BIO MED CH, 6(12), 1998, pp. 2449-2458
Citations number
12
Categorie Soggetti
Chemistry & Analysis
Journal title
BIOORGANIC & MEDICINAL CHEMISTRY
ISSN journal
09680896 → ACNP
Volume
6
Issue
12
Year of publication
1998
Pages
2449 - 2458
Database
ISI
SICI code
0968-0896(199812)6:12<2449:SACMFA>2.0.ZU;2-Z
Abstract
In this study a series of 3-arylisoquinoline derivatives were synthesized a nd cytotoxicity against human melanoma tumor cell evaluated, and a three di mensional quantitative structure-activity relationship was investigated usi ng the comparative molecular field analysis (CoMFA). The results suggested that the electrostatic, steric and hydrophobic factors of 3-arylisoquinolin es were strongly correlated with the antitumor activity. Considerable predi ctive ability (cross-validated r(2) as high as 0.721) was obtained through CoMFA, (C) 1998 Elsevier Science Ltd. All rights reserved.