In Silico Analysis of Terpinen‐4‐ol as a Sustainable Anti‐Biofilm Agent Targeting <i>E. coli</i> Outer Membrane Protein OmpX
, suggesting good bioavailability and membrane permeability. Cytotoxicity predictions in human cell lines using CLC-Prd showed low toxicity probabilities. Hydrophobicity plot analysis of OmpX (PDB ID: 1QJ8) revealed a unique eight-stranded antiparallel β-barrel structure, with hydrophobic residues on the outer surface interacting with the lipid bilayer and hydrophilic residues lining the inner pore. These computational results underscore the potential of terpinen-4-ol as a promising anti-biofilm agent for sustainable food preservation, further experimental validation, and application in the food industry.
Authors
- Jaspal Kaur Oberoi
- Sanchita Choubey (ORCID: https://orcid.org/0000-0002-7700-5040)
- Jyoti Deshpande (ORCID: https://orcid.org/0000-0001-5845-3377)
Institutions
- Dr. D.Y. Patil Vidyapeeth, Pune (IN)
- G.S. Science, Arts And Commerce College (IN)
Publication Details
- Journal
- Chemistry & Biodiversity
- Published
- 2026-04-01
- DOI
- https://doi.org/10.1002/cbdv.202503833
- Primary Topic
- Bacterial biofilms and quorum sensing
- Type
- article
- Field-Weighted Citation Impact
- 0.00