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
{"title":"新型苯并咪唑类芳香酶抑制剂的合成、硅研究及细胞毒性评价。","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","doi":"10.1080/17568919.2026.2748643","DOIUrl":null,"url":null,"abstract":"<p><strong>Aims: </strong>A new series of benzimidazole derivatives (<b>4a</b>-<b>4p</b>) was designed, synthesized, and evaluated as potential aromatase inhibitors with anticancer activity.</p><p><strong>Materials and methods: </strong>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 <i>in silico</i> ADMET profiling were performed for the selected compounds.</p><p><strong>Results: </strong>Among the series, para-substituted derivatives <b>4d</b> (Cl), <b>4h</b> (OC<sub>2</sub>H<sub>5</sub>), and <b>4k</b> (F) exhibited potent antiproliferative activity with low‑micromolar IC<sub>50</sub> values (2.40-2.64 µM), surpassing cisplatin, while maintaining favorable selectivity profiles.</p><p><strong>Conclusions: </strong>This experimental and computational study identifies <b>4d</b> as a promising lead for further development as a non-steroidal aromatase inhibitor for breast cancer therapy.</p>","PeriodicalId":12475,"journal":{"name":"Future medicinal chemistry","volume":" ","pages":"1-19"},"PeriodicalIF":3.3000,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Synthesis, <i>in silico</i> 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\",\"doi\":\"10.1080/17568919.2026.2748643\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><strong>Aims: </strong>A new series of benzimidazole derivatives (<b>4a</b>-<b>4p</b>) was designed, synthesized, and evaluated as potential aromatase inhibitors with anticancer activity.</p><p><strong>Materials and methods: </strong>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 <i>in silico</i> ADMET profiling were performed for the selected compounds.</p><p><strong>Results: </strong>Among the series, para-substituted derivatives <b>4d</b> (Cl), <b>4h</b> (OC<sub>2</sub>H<sub>5</sub>), and <b>4k</b> (F) exhibited potent antiproliferative activity with low‑micromolar IC<sub>50</sub> values (2.40-2.64 µM), surpassing cisplatin, while maintaining favorable selectivity profiles.</p><p><strong>Conclusions: </strong>This experimental and computational study identifies <b>4d</b> as a promising lead for further development as a non-steroidal aromatase inhibitor for breast cancer therapy.</p>\",\"PeriodicalId\":12475,\"journal\":{\"name\":\"Future medicinal chemistry\",\"volume\":\" \",\"pages\":\"1-19\"},\"PeriodicalIF\":3.3000,\"publicationDate\":\"2026-10-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Future medicinal chemistry\",\"FirstCategoryId\":\"3\",\"ListUrlMain\":\"https://doi.org/10.1080/17568919.2026.2748643\",\"RegionNum\":4,\"RegionCategory\":\"医学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MEDICINAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Future medicinal chemistry","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.1080/17568919.2026.2748643","RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MEDICINAL","Score":null,"Total":0}
Synthesis, in silico study and cytotoxic evaluation of new benzimidazole derivatives as potential aromatase inhibitors.
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.
期刊介绍：
Future Medicinal Chemistry offers a forum for the rapid publication of original research and critical reviews of the latest milestones in the field. Strong emphasis is placed on ensuring that the journal stimulates awareness of issues that are anticipated to play an increasingly central role in influencing the future direction of pharmaceutical chemistry. Where relevant, contributions are also actively encouraged on areas as diverse as biotechnology, enzymology, green chemistry, genomics, immunology, materials science, neglected diseases and orphan drugs, pharmacogenomics, proteomics and toxicology.
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