“One stone, two birds” strategy: quercetin-boronate-loaded pHEMA cryogel membranes for targeted action against methicillin-resistant Staphylococcus aureus and multidrug-resistant Escherichia coli with molecular docking insights


Yildirim M., Cimentepe M., Yarlılar Ş. G., Kilic A.

Colloid and Polymer Science, cilt.303, sa.11, ss.2319-2330, 2025 (SCI-Expanded, Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 303 Sayı: 11
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1007/s00396-025-05484-7
  • Dergi Adı: Colloid and Polymer Science
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, Chimica, Compendex, EMBASE, INSPEC
  • Sayfa Sayıları: ss.2319-2330
  • Anahtar Kelimeler: In silico studies, MDR Escherichia coli, Methicillin-resistant Staphylococcus aureus, PHEMA cryogel membrane, Quercetin-boronate
  • Çukurova Üniversitesi Adresli: Hayır

Özet

Boron-containing compounds represent promising drug candidates not only as antibacterial agents but also for the treatment of a wide range of diseases. However, due to their low water solubility, drug delivery systems are required to enhance their bioavailability. Cryogel membranes, synthesized at low temperatures, are among the biocompatible carrier systems that offer elastic properties, making them suitable for efficient drug delivery applications. This study aims to characterize quercetin-boronate-loaded poly(2-hydroxyethyl methacrylate) (pHEMA)-based cryogel membranes, evaluate their antibacterial activity against methicillin-resistant Staphylococcus aureus (MRSA) and multidrug-resistant Escherichia coli (MDR E. coli), and investigate the molecular docking interactions of this compound with the target bacterial proteins. Following the synthesis of quercetin-boronate-loaded cryogel membranes (QBM), their structural and morphological properties were characterized using Fourier-transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The prepared membranes were found to be biocompatible against L929 fibroblast cells. At the 8th hour, QBM2 cryogel membranes exhibited an inhibition rate of 90.4% against MRSA and 98% against MDR E. coli. These findings were further supported by SEM images, which demonstrated the absence of bacterial colonies on QBM-loaded membranes, while bacterial presence was evident on the surfaces of unloaded membranes. Molecular docking analysis revealed that quercetin-boronate exhibited the highest binding affinity towards the 5NC5 protein (− 6.174 kcal/mol) and the lowest towards the 1MWT protein (− 2.619 kcal/mol).