Abstract:
:The 3-D QSAR analysis with new imidazo- and pyrrolo-quinolinedione derivatives was conducted by Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA). When crossvalidation value (q(2)) is 0.844 at four components, the Pearson correlation coefficient (r(2)) of the CoMFA is 0.964. In the CoMSIA, q(2) is 0.709 at six components and r(2) is 0.969. Unknown samples were analyzed, using QSAR analyzed results from the CoMFA and CoMSIA methods. Excellent agreement was obtained between, with an error range of 0.01-0.15 the calculated values and measured in vitro cytotoxic activities against human lung A-549 cancer cell lines.
journal_name
Bioorg Med Chemjournal_title
Bioorganic & medicinal chemistryauthors
Suh ME,Kang MJ,Park SYdoi
10.1016/s0968-0896(01)00196-1subject
Has Abstractpub_date
2001-11-01 00:00:00pages
2987-91issue
11eissn
0968-0896issn
1464-3391pii
S0968089601001961journal_volume
9pub_type
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