21 Mayıs 2025 Dergi makalesi Açık Erişim

Dilek Ömer

MARC21 XML

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    <subfield code="a">&lt;p&gt;In this study, it was aimed to synthesize novel imidazole-cored hydrazones and investigation of their cytotoxic activities against human breast and lung cancer cell lines using both &lt;em&gt;in vitro&lt;/em&gt; and &lt;em&gt;in silico &lt;/em&gt;techniques&lt;em&gt;.&lt;/em&gt; For this purpose, five novel compounds (6 and 7a&amp;ndash;d) were synthesized The proposed structures of the synthesized compounds were confirmed using spectroscopic methods. The cytotoxic effects of these compounds were evaluated against human lung (A549) and breast (MCF-7) cancer cell lines using the MTT assay. Notably, all synthesized compounds exhibited higher cytotoxic activity against MCF-7 cells (IC50 &amp;lt; 9.262 &amp;micro;M) than cisplatin, the control drug. However, their cytotoxic activity against A549 cells (IC50 &amp;gt; 2.605 &amp;micro;M) was lower than that of cisplatin. Except for compound 7d in the A549 cell line, the IC50 values for all compounds were below 10 &amp;micro;M. ADMET properties of compounds were also calculated. From ADME results, it can be said that all compounds are suitable to Lipinski&amp;rsquo;s rule of five except for compounds 7b and 7d because of molecular weight criteria. The binding properties of synthesized compounds to cancer-related proteins (PDB IDs: 1M17, 2XIR, 1E8X, 1MP8) were also investigated using the molecular docking technique. All compounds showed higher binding affinity to these proteins than used standards erlotinib, sorafenib, copanlisib, and ıfebemtinib. As the 7c compound showed higher cytotoxic activity against the MCF-7 cancer cell line than the others and 2XIR-compound complexes have higher docking scores than other proteins, a MD simulation study was also performed to support the stability of the 2XIR-7c complex. The MD simulation results showed that the complex was stable during the 100 ns simulation. When all studied parameters were evaluated compound 7c has the potential to be a drug after further experiments.&lt;/p&gt;</subfield>
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    <subfield code="a">Dilek Ömer</subfield>
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    <subfield code="a">Comprehensive study of imidazole-based hydrazones: From design, synthesis, and characterization to in vitro and in silico antiproliferative activity analysis</subfield>
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