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Abstract <p>The phosphor-based catalyst SrAl<sub>2</sub>O<sub>4</sub>:Er was successfully synthesized and characterized using FTIR, XRD, and TEM techniques. This catalyst was employed in the efficient one-pot synthesis of 2-amino-4<i>H</i>-pyran and polyhydroquinoline derivatives via a multicomponent reaction involving aromatic aldehydes, 1,3-cyclohexanedione and malononitrile or ethyl acetoacetate (EAA), under mild and environmentally benign conditions. The method offers significant advantages including operational simplicity, high product yields, excellent purity, and reduced environmental impact. Additionally, molecular docking studies were conducted to evaluate the anti-HIV potential of the synthesized ligands. One of the compounds demonstrated strong binding affinity to HIV-1 reverse transcriptase (–7.96 kcal/mol), outperforming the reference drug nevirapine (–6.96 kcal/mol). Another compound showed enhanced binding to HIV-1 integrase (–5.45 kcal/mol) along with improved solubility. Furthermore, an additional compound exhibited notable interaction with HIV-1 RNA (–6.69 kcal/mol), suggesting its potential to disrupt viral RNA structure and function. These results indicate that these four compounds are promising candidates for further development as anti-HIV agents.</p>

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Phosphor-Based Catalysis for One-Pot Synthesis of Heterocycles: SrAl2O4:Er-Mediated Route to Anti-HIV Candidates

  • 期刊论文

  • 发表日期：

    2026年6月18日

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  • Hanan A. Soliman,
  • Amr M. Abdelghany,
  • Tamer K. Khatab

摘要

Abstract

The phosphor-based catalyst SrAl2O4:Er was successfully synthesized and characterized using FTIR, XRD, and TEM techniques. This catalyst was employed in the efficient one-pot synthesis of 2-amino-4H-pyran and polyhydroquinoline derivatives via a multicomponent reaction involving aromatic aldehydes, 1,3-cyclohexanedione and malononitrile or ethyl acetoacetate (EAA), under mild and environmentally benign conditions. The method offers significant advantages including operational simplicity, high product yields, excellent purity, and reduced environmental impact. Additionally, molecular docking studies were conducted to evaluate the anti-HIV potential of the synthesized ligands. One of the compounds demonstrated strong binding affinity to HIV-1 reverse transcriptase (–7.96 kcal/mol), outperforming the reference drug nevirapine (–6.96 kcal/mol). Another compound showed enhanced binding to HIV-1 integrase (–5.45 kcal/mol) along with improved solubility. Furthermore, an additional compound exhibited notable interaction with HIV-1 RNA (–6.69 kcal/mol), suggesting its potential to disrupt viral RNA structure and function. These results indicate that these four compounds are promising candidates for further development as anti-HIV agents.