Abstract
AbstractNew benzimidazole‐based piperazine analogues (9 a–n) were synthesized and screened for their cytotoxicity against human breast cancer cell lines MCF‐7 and MDA‐MB‐231 by employing Doxorubicin as a standard reference. 4‐(trifluoromethyl)benzyl substituted compound 9 f displayed outstanding activity against both MCF‐7 and MDA‐MB‐231 cell line with IC50 value of 7.29±0.20 μM and 6.92±4.80 μM respectively, compared to Doxorubicin. Additionally, butyl substituted compound 9 m showed superior activity against MDA‐MB‐231 cells with IC50 value of 7.61±5.90 μM. 4‐fluorobenzyl substituted compound 9 c indicated activity on par with the Doxorubicin against MCF‐7 cells with an IC50 value of 9.15±0.10 μM. The morphological study of active compounds revealed their activity and have not shown any toxicity on MCF‐10A cells. Molecular docking study of all compounds against Cyclin‐dependent kinase 6 produced notable binding energies and interactions in comparison to co‐crystalized ligand Abemaciclib. Pharmacokinetic evaluation of compounds presented favourable drug‐likeness properties.
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