Synthesis, in silico study and cytotoxic evaluation of new benzimidazole derivatives as potential aromatase inhibitors.

Authors

Ayşen Işık, Nour El-Huda Daoud, Kezban Uçar Çiftçi, Gulsah Congur, Ebru Nur Ay, Emine Rana Bagcı, Şennur Görgülü, Ulviye Acar Çevik, Yusuf Tutar, Yusuf Özkay, Zafer Asım Kaplancıklı

Published in

Future medicinal chemistry. Pages 1-19. Oct 16, 2026. Epub Oct 16, 2026.

Abstract

A new series of benzimidazole derivatives (4a-4p) was designed, synthesized, and evaluated as potential aromatase inhibitors with anticancer activity.
The anticancer effects of the compounds were evaluated using the MCF-7 cell line. Derivatives that showed activity were subjected to an aromatase inhibition assay. Molecular docking, molecular dynamics simulations, and in silico ADMET profiling were performed for the selected compounds.
Among the series, para-substituted derivatives 4d (Cl), 4h (OC₂H₅), and 4k (F) exhibited potent antiproliferative activity with low‑micromolar IC₅₀ values (2.40-2.64 µM), surpassing cisplatin, while maintaining favorable selectivity profiles.
This experimental and computational study identifies 4d as a promising lead for further development as a non-steroidal aromatase inhibitor for breast cancer therapy.

PMID:
42885347
Bibliographic data and abstract were imported from PubMed on 16 Oct 2026.

Read full publication at:
Please sign in to see all details.

Stats

1-terrible, 9-excellent. How would you rate this publication? Sign in in to submit your rating.

Post a comment

You need to be signed in to post comments. You can sign in here.

Comments

There are no comments yet.