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<p>In this work, a series of 15 novel spiro-indoline-3,4′-pyrans (<b>4</b>) were synthesized by a simple multi-component reaction. Several spectroscopic methods were used to fully characterize the produced compounds <b>4a–o</b>. Compounds <b>4e</b>, and <b>4f</b> demonstrated anticancer effects on the MCF-7 breast cancer cell line (IC<sub>50</sub> = 9.19 ± 1.29 µM and 2.93 ± 1.79 µM, respectively) by MTT assay. In addition, MCF-7 cells treated with compounds <b>4e</b> and <b>4f</b> showed a lower number of colonies in the colony formation assay than the control group. Compounds <b>4e</b> and <b>4f</b> demonstrated significant apoptotic effects on MCF-7 cells with a percentage of apoptosis (early and late) of 53.1% and 46%, respectively. Finally, the best docked pose of compounds <b>4e</b> and <b>4f</b> against CDK2 was selected for further molecular dynamics (MD) simulation studies. Our data suggest that spiro-indoline-3,4′-pyran is a suitable core for optimization to identify novel anticancer agents.</p>

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Multicomponent synthesis of novel spiro-indoline-3,4′-pyran derivatives: in silico and in vitro study

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年6月27日

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  • Zahra Jamshidi,
  • Seyed Mohammad Taghdisi,
  • Khalil Abnous,
  • Razieh Ghodsi,
  • Farzin Hadizadeh

摘要

In this work, a series of 15 novel spiro-indoline-3,4′-pyrans (4) were synthesized by a simple multi-component reaction. Several spectroscopic methods were used to fully characterize the produced compounds 4a–o. Compounds 4e, and 4f demonstrated anticancer effects on the MCF-7 breast cancer cell line (IC50 = 9.19 ± 1.29 µM and 2.93 ± 1.79 µM, respectively) by MTT assay. In addition, MCF-7 cells treated with compounds 4e and 4f showed a lower number of colonies in the colony formation assay than the control group. Compounds 4e and 4f demonstrated significant apoptotic effects on MCF-7 cells with a percentage of apoptosis (early and late) of 53.1% and 46%, respectively. Finally, the best docked pose of compounds 4e and 4f against CDK2 was selected for further molecular dynamics (MD) simulation studies. Our data suggest that spiro-indoline-3,4′-pyran is a suitable core for optimization to identify novel anticancer agents.