Antibacterial Sulfonated Hydroxyxanthone Derivatives: Synthesis, In Vitro Evaluation, and Molecular Docking Studies

  • Emmy Yuanita Department of Chemistry, Faculty of Mathematic and Natural Science, Universitas Mataram, Mataram, Indonesia
  • Zuriatun Toyyibah Department of Chemistry, Faculty of Mathematic and Natural Science, Universitas Mataram, Mataram, Indonesia
  • Maulida Septiyana Department of Chemistry, Faculty of Mathematic and Natural Science, Universitas Mataram, Mataram, Indonesia
  • Ni Komang Tri Dharmayani Department of Chemistry, Faculty of Mathematic and Natural Science, Universitas Mataram, Mataram, Indonesia
  • Baiq Ike Nursofia Department of Chemistry, Faculty of Mathematic and Natural Science, Universitas Mataram, Mataram, Indonesia
  • Ima Arum Lestarini Department of Medical, Faculty of Medical, Universitas Mataram, Mataram, Indonesia
  • Faris Hermawan Research Center for Pharmaceutical Ingredient and Traditional Medicine, National Research and Innovation Agency (BRIN), Tangerang Selatan, Banten 15314, Indonesia
  • Baiq Nila Sari Ningsih Department of Chemistry, University of Warwick, Coventry CV7 4AL, UK
DOI: https://doi.org/10.30598/ijcr.2026.14-emm
Keywords: sulfonated xanthone, trihydroxyxanthone, antibacterial activity, molecular docking

Abstract

The emergence of antibiotic resistance and the declining drug effectiveness make it imperative to identify potential drug candidates. This study aims to synthesize hydroxyxanthone derivatives as antibacterial candidates. Activity tests were carried out in vitro using Staphylococcus aureus and Escherichia coli, and in silico using molecular docking. Sulfonated hydroxyxanthone derivatives (2a and 2b) were synthesized from 1,3,7- and 1,3,6-trihydroxyxanthones (1a and 1b) through the sulfonation method, yielding 41% and 44%, respectively. The compounds showed greater efficacy against Escherichia coli, with maximum inhibition zones of 14.33 mm (1a) and 15.00 mm (1b), while the sulfonated compound 2b showed relatively better activity against Staphylococcus aureus with an inhibition zone of 14.00 mm, highlighting the impact of molecular structure on antibacterial performance. Molecular docking analysis against penicillin-binding protein 1A (PBP1A) revealed that sulfonated compounds (2a and 2b) exhibited the lowest binding affinity (−7.9 kcal/mol), stronger than the native ligand (penicillin G, -7.4 kcal/mol) and the positive control (amoxicillin, −7.7 kcal/mol), with key interactions with residues Ser487, Thr670, and Thr672, indicating high complex stability and potential inhibitory activity against PBP1A.

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Published
2026-09-17
How to Cite
(1)
Yuanita, E.; Toyyibah, Z.; Septiyana, M.; Dharmayani, N. K.; Ike Nursofia, B.; Arum Lestarini, I.; Hermawan, F.; Nila Sari Ningsih, B. Antibacterial Sulfonated Hydroxyxanthone Derivatives: Synthesis, In Vitro Evaluation, and Molecular Docking Studies. Indo. J. Chem. Res. 2026, 14, 116-125.
Issue
Vol 14 No 2 (2026): Edition for September 2026
Section
Research articles

Copyright (c) 2026 Emmy Yuanita, Zuriatun Toyyibah, Maulida Septiyana, Ni Komang Tri Dharmayani, Baiq Ike Nursofia, Ima Arum Lestarini, Faris Hermawan, Baiq Nila Sari Ningsih

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