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Abstract <p>A novel series of quinoline derivatives were designed and synthesized for anticancer activity targeting epidermal growth factor receptor (EGFR) tyrosine kinase. The structures of all synthesized derivatives were confirmed by <sup>1</sup>H-NMR, <sup>13</sup>C-NMR, FTIR and mass spectrometry. Most of the compounds showed good activity against MCF-7 and HeLa cancer cell lines. Compound <b>4a</b> showed good antiproliferative activity against MCF-7 (IC<sub>50</sub> <InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="12039_2025_2362_Article_IEq1.gif" Format="GIF" Height="6" Rendition="HTML" Resolution="72" Type="Linedraw" Width="14" /> </InlineMediaObject> <EquationSource Format="TEX">\(=\)</EquationSource> <EquationSource Format="MATHML"><math> <mo>=</mo> </math></EquationSource> </InlineEquation> 36.07 μM) and HeLa (IC<sub>50</sub> <InlineEquation ID="IEq2"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="12039_2025_2362_Article_IEq2.gif" Format="GIF" Height="6" Rendition="HTML" Resolution="72" Type="Linedraw" Width="14" /> </InlineMediaObject> <EquationSource Format="TEX">\(=\)</EquationSource> <EquationSource Format="MATHML"><math> <mo>=</mo> </math></EquationSource> </InlineEquation> 17.06 μM) cancer cell lines. Moreover, molecular docking and Prime/MM-GBSA results showed that compound <b>4a</b> formed hydrogen bonds with Met 769 and Asp 831 residues of EGFR tyrosine kinase (PDB ID: 1M17).</p> Graphical abstract <p><UnorderedList Mark="Bullet"> <ItemContent> <p>A series of Quinoline derivatives were synthesized, confirmed by H1 NMR, C13 NMR, FT-IR and Mass.</p> </ItemContent> <ItemContent> <p>Among all the compounds, <b>4a </b>showed good anti-cancer activity against MCF-7(IC50 <InlineEquation ID="IEq3"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="12039_2025_2362_Article_IEq3.gif" Format="GIF" Height="6" Rendition="HTML" Resolution="72" Type="Linedraw" Width="14" /> </InlineMediaObject> <EquationSource Format="TEX">\(=\)</EquationSource> <EquationSource Format="MATHML"><math> <mo>=</mo> </math></EquationSource> </InlineEquation> 36.07 μM) and HeLa (IC50 <InlineEquation ID="IEq10"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="12039_2025_2362_Article_IEq10.gif" Format="GIF" Height="6" Rendition="HTML" Resolution="72" Type="Linedraw" Width="14" /> </InlineMediaObject> <EquationSource Format="TEX">\(=\)</EquationSource> <EquationSource Format="MATHML"><math> <mo>=</mo> </math></EquationSource> </InlineEquation> 17.06 μM) cell lines.</p> </ItemContent> <ItemContent> <p>Molecular docking results revealed that compound <b>4a </b>formed specific hydrogen bonds with Met 769 and Asp 831 residues of EGFR tyrosine kinase.</p> </ItemContent> </UnorderedList></p>

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Exploration of novel quinoline derivatives: Anticancer potential revealed through design, synthesis and biological evaluation

  • 期刊论文

  • 发表日期：

    2025年3月29日

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  • Janaiah Chevula,
  • Saikrishna Balabadra,
  • Ramakrishna Munnaluri,
  • Vijjulatha Manga

摘要

Abstract

A novel series of quinoline derivatives were designed and synthesized for anticancer activity targeting epidermal growth factor receptor (EGFR) tyrosine kinase. The structures of all synthesized derivatives were confirmed by 1H-NMR, 13C-NMR, FTIR and mass spectrometry. Most of the compounds showed good activity against MCF-7 and HeLa cancer cell lines. Compound 4a showed good antiproliferative activity against MCF-7 (IC50 \(=\) = 36.07 μM) and HeLa (IC50 \(=\) = 17.06 μM) cancer cell lines. Moreover, molecular docking and Prime/MM-GBSA results showed that compound 4a formed hydrogen bonds with Met 769 and Asp 831 residues of EGFR tyrosine kinase (PDB ID: 1M17).

Graphical abstract

A series of Quinoline derivatives were synthesized, confirmed by H1 NMR, C13 NMR, FT-IR and Mass.

Among all the compounds, 4a showed good anti-cancer activity against MCF-7(IC50 \(=\) = 36.07 μM) and HeLa (IC50 \(=\) = 17.06 μM) cell lines.

Molecular docking results revealed that compound 4a formed specific hydrogen bonds with Met 769 and Asp 831 residues of EGFR tyrosine kinase.