Synthesis and structure–activity relationships of novel pyrimido[1,2-b]indazoles as potential anticancer agents against A-549 cell lines
| Autor: | B. P. V. Lingaiah, T. Yakaiah, B. Sridhar, T. Parthasarathy, S. Gururaj, Banda Narsaiah, B. Ashok Kumar, B. Shireesha |
|---|---|
| Rok vydání: | 2007 |
| Předmět: |
Quantitative structure–activity relationship
Indazoles Lung Neoplasms Molecular model Stereochemistry Clinical Biochemistry Quantitative Structure-Activity Relationship Pharmaceutical Science Antineoplastic Agents Adenocarcinoma Biochemistry Chemical synthesis chemistry.chemical_compound Tubulin Cell Line Tumor Drug Discovery Structural isomer Humans Molecular Biology chemistry.chemical_classification Indazole Binding Sites biology Organic Chemistry Aromatic amine In vitro Pyrimidines chemistry biology.protein Molecular Medicine |
| Zdroj: | Bioorganic & Medicinal Chemistry Letters. 17:3445-3453 |
| ISSN: | 0960-894X |
| DOI: | 10.1016/j.bmcl.2007.03.087 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect