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.

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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
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article

In Silico Analysis of Terpinen‐4‐ol as a Sustainable Anti‐Biofilm Agent Targeting E. coli Outer Membrane Protein OmpX

Jaspal Kaur Oberoi, Sanchita Choubey, Jyoti Deshpande
Chemistry & Biodiversity
Bacterial biofilms and quorum sensing
article

In Silico Analysis of Terpinen‐4‐ol as a Sustainable Anti‐Biofilm Agent Targeting E. coli Outer Membrane Protein OmpX

Jaspal Kaur Oberoi, Sanchita Choubey, Jyoti Deshpande
article en

Abstract

, 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.

Chemistry & BiodiversityVol. 23(4)
Dr. D.Y. Patil Vidyapeeth, Pune (IN), G.S. Science, Arts And Commerce College (IN)
Responsible consumption and production
Openalex Percentile: Top 21%
Bacterial biofilms and quorum sensing
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