Work

Screening of phenolic antibacterial compounds for the prevention of biofouling

Year: 2025

Type: article

Abstract: • Potential natural antibiofouling phenolics were discovered using virtual screening. • Baicalein had significant inhibitory activity against E. coli and S. aureus . • Piceatannol inhibited 100 % S. aureus . • Novel antibacterial phenolic compound was found by virtual screening. • The antibacterial compounds can be utilized in preventing biofilms. Various natural phenolic compounds with antibacterial properties hold potential for preventing the undesired formation of bacterial biofilms, such as those occurring on water treatment membranes. In this study, we conducted computational shape-based similarity and pharmacophore-based virtual screenings to identify potential antimicrobial phenolic compounds from a large database of natural compounds. The aim was to discover naturally occurring phenolics that could serve as eco-friendly and cost-effective strategies to prevent biofouling on filtration membranes. The virtual screening was applied to identify antibacterial compounds. Compounds from the screening were validated through experimental antibacterial studies against Escherichia coli ( E. coli ) and Staphylococcus aureus ( S. aureus ). Notably, three compounds—baicalein, piceatannol and methyl gallate exhibited antibacterial activity against both E. coli and S. aureus . In addition, a new compound ([2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-8-(4-hydroxyphenyl)-4-oxo-4H-furo[2,3-h]chromen-9-yl]acetic acid) was identified as having antibacterial activity. Additionally, we prepared extracts from pine needles, a potential source of industrial by-products, and examined their antibacterial effects.

Source: Journal of Molecular Structure

DOI: 10.1016/j.molstruc.2025.141774