Antibiofilm biosynthetic terpene derivatives against clinically and food-relevant bacteria, including synergistic interactions with <b>β</b> -lactam antibiotics: quantum chemical calculations, molecular docking and ADMET study
. In silico docking suggested potential inhibition of Gyrase B, thymidylate kinase, and topoisomerase through interactions with active-site residues. ADMET predictions indicated favorable permeability and absorption, especially for S-PA and R-LMN. These findings highlight the potential of limonene derivatives as alternative or adjunct antimicrobial agents against biofilm-associated infections.
Authors
- Jesyka Macêdo Guedes (ORCID: https://orcid.org/0000-0003-3376-0789)
- Francisco Nithael Melo Lúcio (ORCID: https://orcid.org/0000-0002-3652-1102)
- Victor Alves Carneiro (ORCID: https://orcid.org/0000-0003-0116-0957)
- Emmanuel Silva Marinho (ORCID: https://orcid.org/0000-0002-4774-8775)
- Rafaela Mesquita Bastos Cavalcante
- Victor Moreira de Oliveira (ORCID: https://orcid.org/0000-0002-9261-5656)
- Glaydson Leandro Farias Mendonça (ORCID: https://orcid.org/0000-0002-3773-5778)
- Márcia Machado Marinho (ORCID: https://orcid.org/0000-0002-7640-2220)
- Francisco Ferdinando Mesquita Cajazeiras
- ANA MARIA AGUIAR NASCIMENTO
- Rhanna Karyne Rodrigues Muniz
- Jéssica Híade Silva Cristino
- Jaíza Maria Lima Dias
- Hélcio Silva dos Santos
- Thiago dos Santos Francisco
Institutions
- Universidade Estadual do Ceará (BR)
- Universidade Federal do Ceará (BR)
- State University of Vale do Acaraú (BR)
- Antimicrobial Materials (United States) (US)
Publication Details
- Journal
- Biofouling
- Published
- 2026-04-20
- DOI
- https://doi.org/10.1080/08927014.2026.2656304
- Primary Topic
- Essential Oils and Antimicrobial Activity
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Conselho Nacional de Desenvolvimento Científico e Tecnológico
- Fundação Cearense de Apoio ao Desenvolvimento Científico e Tecnológico