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The specially designed pyrazole and pyrazole fused pyrimidines were subjected to the molecular docking studies with aurora kinase A, Hematopoietic cell kinase (hck) and anaplastic lymphoma kinase. The good interactions prompted us to synthesize the newer pyrazole and pyrazolo[3,4-d]pyrimidines. To prove the hypothesis about anticancer activity, the compounds were screened for their cytotoxicity against human cancer cell lines (MCF-7, K-562 and A-549) and compared with standard drugs. The hypothesis was supported as the IC50 values are found in lower micromolar ranges for six compounds and more potent in the case of chronic myeloid leukemia and lung carcinoma.

rasayan journal of chemistry/rasayan journal of chemistry

COMPUTATIONAL STUDIES, EFFICIENT SYNTHESIS AND BIOLOGICAL EVALUATION OF PYRAZOLO[3,4- d]PYRIMIDINES AS POTENT INHIBITORS OF CHRONIC MYELOID LEUKEMIA, LUNG CARCINOMA AND BREAST CARCINOMA