Molecular targets of Candida tropicalis biofilm adhesion proteins for Humulus lupulus and Artemisia absinthium essential oils

Authors

  • Iryna S. Chernei Polessky State University, 23 Dniaprowskaj flacilii Street, Pinsk 225710, Belarus
  • Yaraslau U. Dzichenka Institute of Bioоrganic Chemistry, National Academy of Sciences of Belarus, 5 Akademika Kuprevicha Street, 2 building, Minsk 220084, Belarus
  • Vitali T. Cheshchevik Polessky State University, 23 Dniaprowskaj flacilii Street, Pinsk 225710, Belarus

Keywords:

adhesion proteins, biofilm, Candida, essential oil, Humulus lupulus, Artemisia absinthium, molecular docking, ADME properties

Abstract

Molecular docking was employed to identify potential molecular targets of Candida tropicalis biofilm adhesion proteins interacting with essential oil components from Humulus lupulus and Artemisia absinthium. The following components exhibited the highest affinity for C. tropicalis biofilm adhesion proteins: myrcene, linalool, humulene oxide, 4-decenoic acid, isoamyl butyrate, methyl-6-heptenoate, 2-nonanone, methyl isooctanoate, methyl octanoate, methyl nonanoate, geranyl isobutyrate (H. lupulus), as well as α- and β-thujone, sabinene, 2,4-thujadiene, geranyl propionate, terpinene-4-ol, trans-sobrerol, geranyl formate (A. absinthium). The identified compounds demonstrated interaction types with biofilm adhesion proteins similar to those of fluconazole but differed in the involvement of various key amino acid residues specific to each protein. Comparison of physico-chemical parameters and ADME properties of these compounds with those of fluconazole suggests their potential as a basis for developing novel antifungal agents with antibiofilm activity against C. tropicalis.

Author Biographies

  • Iryna S. Chernei, Polessky State University, 23 Dniaprowskaj flacilii Street, Pinsk 225710, Belarus

    assistant at the department of biochemistry and bioinformatics, faculty of biotechnology

  • Yaraslau U. Dzichenka, Institute of Bioоrganic Chemistry, National Academy of Sciences of Belarus, 5 Akademika Kuprevicha Street, 2 building, Minsk 220084, Belarus

    PhD (chemistry), docent; leading researcher at the laboratory of protein engineering

  • Vitali T. Cheshchevik, Polessky State University, 23 Dniaprowskaj flacilii Street, Pinsk 225710, Belarus

    PhD (biology), docent; dean of the faculty of biotechnology

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Published

2025-04-07

Issue

No. 1 (2025): Experimental Biology and Biotechnology

Section

Biochemistry

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How to Cite

Chernei, I. S. ., Dzichenka, Y. U. ., & Cheshchevik, V. T. . (2025). Molecular targets of Candida tropicalis biofilm adhesion proteins for Humulus lupulus and Artemisia absinthium essential oils. Experimental Biology and Biotechnology, 1, 12-23. https://journals.bsu.by/index.php/biology/article/view/6838