Molecular Docking, Dynamics, and Cytotoxicity Assessment of Pyrazolo1,5‐apyrimidine Derivatives Against Breast Cancer

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Molecular docking and cytotoxicity studies reveal potential of pyrazolo[1,5‐a]pyrimidine derivatives against breast cancer, targeting aromatase.

Compounds 2 and 11 showed strong binding affinities to the aromatase target, indicating potential efficacy against breast cancer.
The IC50 values of compounds 2 and 11 were 21.49 ± 1.59 µM and 22.68 ± 3.25 µM, suggesting notable anticancer activity.
Molecular docking and dynamics simulations confirmed the stability of the binding interactions of these compounds.
Further research is essential to explore the therapeutic mechanisms and clinical applications of these pyrazolo[1,5‐a]pyrimidine derivatives.

Patel et al. (2025) studied this question.

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Molecular docking and cytotoxicity studies reveal potential of pyrazolo[1,5‐a]pyrimidine derivatives against breast cancer, targeting aromatase.