Synthesis and structure-activity relationships of novel pyrimido[1,2-b]indazoles as potential anticancer agents against A-549 cell lines

publication · 8 years ago
by T. Yakaiah, B.P.V. Lingaiah, Ashok B. Kumar, S. Gururaj, Balasubramanian Sridhar, Banda Narsaiah, Shireesha Boyapati, Tigulla Parthasarathy (Indian Institute of Chemical Technology)
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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