Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1377613 | Bioorganic & Medicinal Chemistry Letters | 2007 | 9 Pages |
Abstract
A series of novel pyrimido[1,2-b]indazoles 5, 7 have been prepared from 3-trifluoromethyl-5-phenyl-2,6-dicyano anilines 1 via novel indazole regioisomers 3 and 4 through a facile strategy. Specific examples were evaluated for anticancer activity in vitro and found to exhibit promising activity against A-549 cell lines and are more effective than Etoposide. QSAR models were developed and validated by cross-validation method. The results of the best QSAR model were further compared with the crystal structure of tubulin protein. The binding energies estimated were found to have a good correlation with the experimental inhibitory potencies.
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Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
T. Yakaiah, B.P.V. Lingaiah, B. Narsaiah, B. Shireesha, B. Ashok Kumar, S. Gururaj, T. Parthasarathy, B. Sridhar,