Oct 2026· Future Medicinal Chemistry· pp.
1-19
· 0 citations· 59 references
Medicine
TL;DR
This experimental and computational study identifies para-substituted derivatives 4d as a promising lead for further development as a non-steroidal aromatase inhibitor for breast cancer therapy.
Abstract
Aims
A new series of benzimidazole derivatives (4a-4p) was designed, synthesized, and evaluated as potential aromatase inhibitors with anticancer activity.
Materials And Methods
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.
Results
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.
Conclusions
This experimental and computational study identifies 4d as a promising lead for further development as a non-steroidal aromatase inhibitor for breast cancer therapy.
The synthesized benzoxazole hybrid compounds showed promising anticancer activity with acceptable ADMET properties; however, further structural optimization and mechanistic studies are needed to validate the molecular targets and improve safety and pharmacokinetic profiles.
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A series of novel compounds (4a, 4b, 4c, and 4d) were designed, synthesized and characterized for their anticancer and anti-inflammatory activities. The anticancer efficacy was evaluated in vitro against MCF7 and ZR-75-1 human breast cancer cell lines, using parameters such as LC50, TGI, and GI50. Among the compounds,...
P. Dube, Yogita B. Thombare, S. Tambe et al.· Indian drugs· 0 citations
INTRODUCTION
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AREAS COVERED
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A. Kumar T., A. K.· Research Journal of Pharmacy...· 0 citations
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