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Abstract <p>Using well known and simple reactions like <i>N</i>-propargylation and copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC), fourteen hybrid molecules embedded with vital pharmacophores such as thiazole, piperazine and 1,2,3-triazole were syntesiazed. All the prepared compounds were screened for anticancer activity against three human breast cancer cell lines such as MDA-MB-231, MDA-MB-468 and MCF-7 and 5-fluorouracil (5-FU) was used as standard drug. Here four compounds have exhibited superior activity than 5-FU with IC<sub>50</sub> values ranging from 1.2 and 9.2 μM. The same four compounds were screened for in vitro tyrosine kinase EGFR inhibition where all of them shown more inhibition than erlotinib. In silico studies like molecular docking on EGFR protein (PDB ID–4HJO) and ADMET also in accordance to the observed in vitro results.</p>

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Copper(I)-Catalyzed Synthesis of Thiazole-piperazine-1,2,3-triazole Conjugates As In Vitro EGFR Inhibitors and Some In Silico Studies

  • 期刊论文

  • 发表日期：

    2025年9月1日

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  • Bhasker Akkala,
  • Karthik Bokkala,
  • Rama Krishna Bashabathini,
  • Kranthi Kumar Thallapally

摘要

Abstract

Using well known and simple reactions like N-propargylation and copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC), fourteen hybrid molecules embedded with vital pharmacophores such as thiazole, piperazine and 1,2,3-triazole were syntesiazed. All the prepared compounds were screened for anticancer activity against three human breast cancer cell lines such as MDA-MB-231, MDA-MB-468 and MCF-7 and 5-fluorouracil (5-FU) was used as standard drug. Here four compounds have exhibited superior activity than 5-FU with IC50 values ranging from 1.2 and 9.2 μM. The same four compounds were screened for in vitro tyrosine kinase EGFR inhibition where all of them shown more inhibition than erlotinib. In silico studies like molecular docking on EGFR protein (PDB ID–4HJO) and ADMET also in accordance to the observed in vitro results.