Screening inhibitor to prevent the psychrotrophic growth of Pseudomonas fluorescens by using molecular simulation

Pseudomonas fluorescens is a specific spoilage bacteria in seafood, which has the ability to maintain growth and reproduction at low temperatures. There are some functional proteins in Pseudomonas fluorescens to defense the harm of cold to its life activities. Hence, disrupting this defense mechanism may be a good way to control food spoilage. In this study, we screened the food ingredients database to search for potential cold defense mechanism inhibitors of P. fluorescens PF08 by using virtual screening. From the screening results, we found a compound with inhibitory activity — l -phenylalanine. Moreover, the effects of l -phenylalanine on the cold defense mechanism were determined. l -phenylalanine is difficult to inhibit bacterial growth at room temperature. However, it significantly inhibits the growth ability of Pseudomonas fluorescens PF08 and the production of biofilm at 4 °C. In addition, we also found that l -phenylalanine can compress RpoS and Algk, which undoubtedly interferes with the function of proteins. • Established 3D models of three cold-adaptive proteins. • Found a cold-adaptive activity inhibitor l -phenylalanine through virtual screening. • After treatment by l -phenylalanine, Pseudomonas is difficult to grow at 4 °C. • Through MD analysis, we found l -phenylalanine will compress the protein structure.