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March 12, 20260 citationsOpen Access

Synthesis of 2-Aryl-4-aminoquinazolines: Design, Molecular Docking, and In Vitro Assessment of Antibacterial and Cytotoxic Potential

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FVFelipe VerdugoCBCapucine BraillonSMSana Mahjoub

Key Points

  • The aim is to design and synthesize 2-aryl-4-aminoquinazolines, evaluating their antibacterial and cytotoxic effects.
  • Designed quinazoline derivatives using an aminoalkylimidazole linker.
  • Synthesized compounds from anthranilamide in three steps.
  • Confirmed structures via FT-IR, NMR, and HRMS.
  • Conducted antibacterial tests against various strains including MRSA.
  • Assessed cytotoxicity in HepG2 cells and performed molecular docking analysis.
  • Compound series 5 showed strong selectivity toward S. aureus with MICs of 2.2 to 4.4 µM.
  • No significant activity against other tested bacterial strains was found.
  • Cytotoxicity in HepG2 cells was moderate to low.
  • Molecular docking revealed preferential binding to DHFR and relevant interactions with topoisomerase IV.
  • ADME analysis predicted favorable absorption and compliance with Lipinski’s rules.

Abstract

Antimicrobial resistance (AMR) remains a major threat to modern medicine, fueled by the excessive use of antibiotics and the spread of multidrug-resistant pathogens such as methicillin-resistant Staphylococcus aureus (MRSA). In this study, we designed and synthesized a series of 2-aryl-4-aminoquinazoline derivatives bearing an aminoalkylimidazole linker, combining two pharmacophoric motifs associated with antimicrobial activity. Starting from anthranilamide, the compounds were prepared in three straightforward steps, affording good yields and high purity. Their structures were confirmed by FT-IR spectroscopy, 1H and 13C nuclear magnetic resonance (NMR), and high-resolution mass spectrometry (HRMS). Biological evaluation showed that series 5 exhibited strong selectivity toward S. aureus, with compounds 5c and 5d displaying minimum inhibitory concentrations (MICs) between 2.2 and 4.4 µM. No significant activity was observed against other tested strains. Cytotoxicity assays in HepG2 cells revealed moderate to low inhibition. Molecular docking indicated preferential binding to dihydrofolate reductase (DHFR) and relevant interactions with topoisomerase IV, resembling reference inhibitors. ADME analysis predicted favourable absorption, blood–brain barrier permeability, and compliance with Lipinski’s rules.

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Cite This Study

Verdugo et al. (2026) studied this question.

synapsesocial.com/papers/69b25b5496eeacc4fcec9f6chttps://doi.org/10.3390/ijms27062529
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