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<p>The synthesis of, 1-(3,5-bis((<i>E</i>)-4-hydroxy-3-methoxystyryl)-1<i>H</i>-pyrazol-1-yl)-2-((2,5-dimethoxyphenyl)amino)ethan-1-one (<b>15</b>) was prepared in a green solvent (water:glycerol 2:1 v/v) using boric acid (10% mol solution in glycerol) as a catalyst. Spectroscopic methods such as infrared, nuclear magnetic resonance (<sup>1</sup>H and <sup>13</sup>C), and mass spectral data were used to characterized the curcumin analog (<b>15</b>). The antiproliferative efficacy was then evaluated in compliance with the National Cancer Institute protocol. The curcumin analog (<b>15</b>), demonstrated a lethal effect against seven cell lines including, HT29, COLO 205, NCI-H522, RPMI-8226, HL-60(TB), 786–0, and SK-OV-3 with PGIs of 170.25, 146.85, 119.30, 108.66, 108.64, 107.30, and 103.50 respectively, good inhibition against forty-six and moderate inhibition against four cancer cell lines. In five-dose assay, the curcumin analog (<b>15</b>) shown encouraging antiproliferative activity with a mean GI<sub>50</sub> value of 2.269&#xa0;µM. Its highest performance was recorded against the leukemia cell line SR, with a GI<sub>50</sub> value of 0.288&#xa0;µM. The <i>in-silico</i> studies was explored including molecular docking and molecular docking simulation against the AZD9291 binding site of EGFR. The curcumin analog <b>15</b> demonstrated an efficient binding affinity against the AZD9291 binding site of EGFR with a docking score of − 6.614&#xa0;kcal/mol and displayed four H-bond interactions with the residues Lys728, Lys745, Glu762, and Cys797. The molecular docking simulation explored a promising and comparable results of ligand <b>15</b> with gefitinib was obtained.</p> Graphical Abstract <p></p>

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Preclinical Exploration of Newer Curcumin Analog (NSC 793122) as Potential Antiproliferative Agent

  • 期刊论文

  • 发表日期：

    2025年6月25日

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  • Md. Faiyaz Ahsan,
  • Mohamed Jawed Ahsan,
  • Mohammad Yusuf,
  • Amena Ali,
  • Salahuddin,
  • Abuzer Ali

摘要

The synthesis of, 1-(3,5-bis((E)-4-hydroxy-3-methoxystyryl)-1H-pyrazol-1-yl)-2-((2,5-dimethoxyphenyl)amino)ethan-1-one (15) was prepared in a green solvent (water:glycerol 2:1 v/v) using boric acid (10% mol solution in glycerol) as a catalyst. Spectroscopic methods such as infrared, nuclear magnetic resonance (1H and 13C), and mass spectral data were used to characterized the curcumin analog (15). The antiproliferative efficacy was then evaluated in compliance with the National Cancer Institute protocol. The curcumin analog (15), demonstrated a lethal effect against seven cell lines including, HT29, COLO 205, NCI-H522, RPMI-8226, HL-60(TB), 786–0, and SK-OV-3 with PGIs of 170.25, 146.85, 119.30, 108.66, 108.64, 107.30, and 103.50 respectively, good inhibition against forty-six and moderate inhibition against four cancer cell lines. In five-dose assay, the curcumin analog (15) shown encouraging antiproliferative activity with a mean GI50 value of 2.269 µM. Its highest performance was recorded against the leukemia cell line SR, with a GI50 value of 0.288 µM. The in-silico studies was explored including molecular docking and molecular docking simulation against the AZD9291 binding site of EGFR. The curcumin analog 15 demonstrated an efficient binding affinity against the AZD9291 binding site of EGFR with a docking score of − 6.614 kcal/mol and displayed four H-bond interactions with the residues Lys728, Lys745, Glu762, and Cys797. The molecular docking simulation explored a promising and comparable results of ligand 15 with gefitinib was obtained.

Graphical Abstract