Aromatase inhibitors are the most used anticancer drug group in breast cancer cases. The development of resistance in cancer patients over time and the side effects of existing drugs make the need for new and effective agents permanent. In this study, 10 novel pyrimidine-triazole derivatives were synthesized and their anticancer activities were investigated. Compounds 5c and 5g showed inhibitor activity against MCF-7 cell line with IC50 =1.573±0.020; 3.698±0.056 μM value, respectively. As a result of in vitro aromatase enzyme inhibition test, compounds 5c and 5g were exhibited significant activity with IC50 =0.082±0.007 μM and IC50 =0.198±0.015 μM, respectively. Estimated physicochemical parameters were calculated using the online SwissADME program for all compounds. Interaction modes of the compounds 5c and 5g were investigated against aromatase enzyme by means of docking studies. As a result of the studies, the importance of the triazole ring for aromatase inhibition has been understood.
Keywords: aromatase; molecular docking; pyrimidine; triazole.
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