Synthesis, molecular modelling and evaluation of (-)-isopulegolbased 2,4-diaminopyrimidines as promising Aurora kinase inhibitors

Tam Minh Le; Nikoletta Szemerédi; Gabriella Spengler; Minh Canh Nguyen; Huynh Nguyen Khanh Tran; Khac‐Minh Thai; Zsolt Szakonyi

doi:10.1039/d6md00278a

January 1, 2026RSC Medicinal Chemistry

Synthesis, molecular modelling and evaluation of (-)-isopulegolbased 2,4-diaminopyrimidines as promising Aurora kinase inhibitors

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Key Points

The study aims to synthesize and evaluate the efficacy of (-)-isopulegol based 2,4-diaminopyrimidines as inhibitors of Aurora kinase.
Synthesis of a library of 2,4-diaminopyrimidines from (-)-isopulegol and 5-substituted 2,4-dichloropyrimidines.
Molecular modeling techniques were employed to predict binding affinities of the synthesized compounds.
Evaluation of the inhibitory activity against Aurora kinase was conducted through biochemical assays.
Several (-)-isopulegol based 2,4-diaminopyrimidines showed high inhibitory activity against Aurora kinase.
Molecular modeling revealed strong binding interactions with the kinase catalytic site.
A selection of compounds demonstrated potential for further development as cancer therapeutics.

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Implication

Evaluates aurora kinase inhibitors in the development of new cancer treatments, suggesting strong potential.

Abstract

A library of (-)-isopulegol based 2,4-diaminopyrimidines was prepared from commercially available (-)-isopulegol. Aminodiols, derived from (-)-isopulegol according to literature methods, were added to 5-substituted 2,4dichloropyrimidines, then the resulting products were...

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Le et al. (2026) studied this question.

synapsesocial.com/papers/6a2267f6763171746d5467ed https://doi.org/10.1039/d6md00278a

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Synthesis, molecular modelling and evaluation of (-)-isopulegolbased 2,4-diaminopyrimidines as promising Aurora kinase inhibitors

Key Points

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Abstract

Discussion

Cite This Study

Synthesis, molecular modelling and evaluation of (-)-isopulegolbased 2,4-diaminopyrimidines as promising Aurora kinase inhibitors

Key Points

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Implication

Abstract

Discussion

Cite This Study

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