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Abstract <p>In the research presented, the synthesis of some new (4<i>E</i>)-1-(aroyl)-4-[(2-hydroxyphenyl)methylidene]-2-phenylpyrazolidine-3,5-dione compounds was accomplished by the reaction of substituted benzoyl-2-phenylpyrazolidine-3,5-dione with o-hydroxybenzaldehyde by Knoevenagel condensation reaction. In the molecular docking study, the binding affinity ranges of the synthesized derivatives were found to be 6.355 to –10.009 kcal/mol in comparison to tamoxifen (standard), with an affinity of –9.798 kcal/mol against the targeted estrogen receptor (PDB ID: 3ERT). The anticancer action of the targeted compounds was also evaluated by the <i>in vitro</i> MTT assay method, in which the compounds (4<i>Z</i>)-1-(2,4-dihydroxybenzoyl)-4-[(2-hydroxyphenyl)methylidene]-2-phenylpyrazolidine-3,5-dione and (4<i>Z</i>)-1-(4-dihydroxybenzoyl)-4-[(2-hydroxyphenyl)methylidene]-2-phenylpyrazolidine-3,5-dione were found to demonstrate promising cytotoxicity with IC<sub>50</sub> values of 0.3426 and 0.479 μM, respectively, while compound (4<i>Z</i>)-1-(4-aminobenzoyl)-4-[(2-hydroxyphenyl) methylidene]-2-phenylpyrazolidine-3,5-dione showed similar antibreast-cancer activity IC<sub>50</sub> value 0.685 μM, in comparison to standard drug (tamoxifen) (IC<sub>50</sub> = 0.642 μM).</p>

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Pyrazolidine-3,5-dione Derivatives: Synthesis, Computational, and In Vitro Screening Targeting Breast Cancer

  • 期刊论文

  • 发表日期：

    2026年4月23日

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  • Shruti Varshney,
  • Rakhi Mishra,
  • Harpreet Singh

摘要

Abstract

In the research presented, the synthesis of some new (4E)-1-(aroyl)-4-[(2-hydroxyphenyl)methylidene]-2-phenylpyrazolidine-3,5-dione compounds was accomplished by the reaction of substituted benzoyl-2-phenylpyrazolidine-3,5-dione with o-hydroxybenzaldehyde by Knoevenagel condensation reaction. In the molecular docking study, the binding affinity ranges of the synthesized derivatives were found to be 6.355 to –10.009 kcal/mol in comparison to tamoxifen (standard), with an affinity of –9.798 kcal/mol against the targeted estrogen receptor (PDB ID: 3ERT). The anticancer action of the targeted compounds was also evaluated by the in vitro MTT assay method, in which the compounds (4Z)-1-(2,4-dihydroxybenzoyl)-4-[(2-hydroxyphenyl)methylidene]-2-phenylpyrazolidine-3,5-dione and (4Z)-1-(4-dihydroxybenzoyl)-4-[(2-hydroxyphenyl)methylidene]-2-phenylpyrazolidine-3,5-dione were found to demonstrate promising cytotoxicity with IC50 values of 0.3426 and 0.479 μM, respectively, while compound (4Z)-1-(4-aminobenzoyl)-4-[(2-hydroxyphenyl) methylidene]-2-phenylpyrazolidine-3,5-dione showed similar antibreast-cancer activity IC50 value 0.685 μM, in comparison to standard drug (tamoxifen) (IC50 = 0.642 μM).