Antimicrobial activity between Coriandrum sativum seed and Cuminum cyminum essential oils against foodborne pathogens: A multi-ligand molecular docking simulation

Essential oils of Coriandrum sativum seed (CO) and Cuminum cyminum (CUM) were investigated for their single and combined antimicrobial activities against food-borne pathogens (Streptococcus pyogenes, Listeria monocytogenes, Bacillus subtilis, Enterobacter aerogenes, Salmonella enterica serovar Typhi...

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Veröffentlicht in:Food science & technology 2023-08, Vol.185, p.115217, Article 115217
Hauptverfasser: Noshad, Mohammad, Behbahani, Behrooz Alizadeh, Nikfarjam, Zahra, Zargari, Farshid
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Nikfarjam, Zahra
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description Essential oils of Coriandrum sativum seed (CO) and Cuminum cyminum (CUM) were investigated for their single and combined antimicrobial activities against food-borne pathogens (Streptococcus pyogenes, Listeria monocytogenes, Bacillus subtilis, Enterobacter aerogenes, Salmonella enterica serovar Typhimurium, Shigella dysentery, Aspergillus niger, Saccharomyces cerevisiae and Candida albicans). Also, the AutoDock Vina software and a multi-docking approach was used to investigate the synergistic interactions of ligand combinations on a range of receptors. The results showed the antioxidant activity, total phenolic content (TPC), and total flavonoid content (TFC) of the CUM and CO were equal to 69.52 ± 0.47%, 76.52 ± 0.83 mg GAE/g, 34.5 ± 0.61 mg QE/g, 62.47 ± 0.89%, 44.28 ± 0.66 mg GAE/g, 22.6 ± 0.74 mg QE/g, respectively. The antioxidant activity, TPC and TFC for the combination (CO + CUM) were equal to 76.24 ± 0.31%, 83.60 ± 0.47 mg GAE/g, 36.47 ± 0.52 mg QE/g, respectively. The findings of this study demonstrated that the mixture of CO and CUM essential oils exhibited a synergistic mode for E. aerogenes, and A. niger and an additive mode for L. monocytogenes, B. cereus, S. Typhimurium, S. cerevisiae and C. albicans and no significant effect was observed for S. pyogenes and S. dysentery. According to results, Receptor 5U6M exhibits the highest binding affinity for all ligands, as evident from the most negative docking scores. Conversely, receptor 6NTW demonstrates the lowest binding affinity among the receptors investigated. •Antimicrobial effect of Coriandrum sativum seed (CO) and Cuminum cyminum (CUM) against food-borne pathogenic was evaluated.•Combination of CO and CUM showed synergistic inhibition to Enterobacter aerogenes, and Aspergillus niger.•Synergistic activity between CO and CUM were simulated with multi-ligand molecular docking simulation.
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Also, the AutoDock Vina software and a multi-docking approach was used to investigate the synergistic interactions of ligand combinations on a range of receptors. The results showed the antioxidant activity, total phenolic content (TPC), and total flavonoid content (TFC) of the CUM and CO were equal to 69.52 ± 0.47%, 76.52 ± 0.83 mg GAE/g, 34.5 ± 0.61 mg QE/g, 62.47 ± 0.89%, 44.28 ± 0.66 mg GAE/g, 22.6 ± 0.74 mg QE/g, respectively. The antioxidant activity, TPC and TFC for the combination (CO + CUM) were equal to 76.24 ± 0.31%, 83.60 ± 0.47 mg GAE/g, 36.47 ± 0.52 mg QE/g, respectively. The findings of this study demonstrated that the mixture of CO and CUM essential oils exhibited a synergistic mode for E. aerogenes, and A. niger and an additive mode for L. monocytogenes, B. cereus, S. Typhimurium, S. cerevisiae and C. albicans and no significant effect was observed for S. pyogenes and S. dysentery. According to results, Receptor 5U6M exhibits the highest binding affinity for all ligands, as evident from the most negative docking scores. 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Behbahani, Behrooz Alizadeh ; Nikfarjam, Zahra ; Zargari, Farshid</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c373t-f89411ba8bbf23629a0daba3a80a3ea4d02742f3a539372371d421ed5182b9fa3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Antimicrobial characteristics</topic><topic>antimicrobial properties</topic><topic>antioxidant activity</topic><topic>Aspergillus niger</topic><topic>Bacillus cereus</topic><topic>Bacillus subtilis</topic><topic>Candida albicans</topic><topic>computer software</topic><topic>Coriandrum sativum</topic><topic>Cuminum cyminum</topic><topic>Enterobacter aerogenes</topic><topic>Essential oils</topic><topic>flavonoids</topic><topic>Food preservation</topic><topic>ligands</topic><topic>Listeria monocytogenes</topic><topic>Molecular docking</topic><topic>Saccharomyces cerevisiae</topic><topic>Salmonella Typhimurium</topic><topic>shigellosis</topic><topic>Streptococcus pyogenes</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Noshad, Mohammad</creatorcontrib><creatorcontrib>Behbahani, Behrooz Alizadeh</creatorcontrib><creatorcontrib>Nikfarjam, Zahra</creatorcontrib><creatorcontrib>Zargari, Farshid</creatorcontrib><collection>ScienceDirect Open Access Titles</collection><collection>Elsevier:ScienceDirect:Open Access</collection><collection>CrossRef</collection><collection>AGRICOLA</collection><collection>AGRICOLA - Academic</collection><jtitle>Food science &amp; technology</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Noshad, Mohammad</au><au>Behbahani, Behrooz Alizadeh</au><au>Nikfarjam, Zahra</au><au>Zargari, Farshid</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Antimicrobial activity between Coriandrum sativum seed and Cuminum cyminum essential oils against foodborne pathogens: A multi-ligand molecular docking simulation</atitle><jtitle>Food science &amp; technology</jtitle><date>2023-08-01</date><risdate>2023</risdate><volume>185</volume><spage>115217</spage><pages>115217-</pages><artnum>115217</artnum><issn>0023-6438</issn><eissn>1096-1127</eissn><abstract>Essential oils of Coriandrum sativum seed (CO) and Cuminum cyminum (CUM) were investigated for their single and combined antimicrobial activities against food-borne pathogens (Streptococcus pyogenes, Listeria monocytogenes, Bacillus subtilis, Enterobacter aerogenes, Salmonella enterica serovar Typhimurium, Shigella dysentery, Aspergillus niger, Saccharomyces cerevisiae and Candida albicans). Also, the AutoDock Vina software and a multi-docking approach was used to investigate the synergistic interactions of ligand combinations on a range of receptors. The results showed the antioxidant activity, total phenolic content (TPC), and total flavonoid content (TFC) of the CUM and CO were equal to 69.52 ± 0.47%, 76.52 ± 0.83 mg GAE/g, 34.5 ± 0.61 mg QE/g, 62.47 ± 0.89%, 44.28 ± 0.66 mg GAE/g, 22.6 ± 0.74 mg QE/g, respectively. The antioxidant activity, TPC and TFC for the combination (CO + CUM) were equal to 76.24 ± 0.31%, 83.60 ± 0.47 mg GAE/g, 36.47 ± 0.52 mg QE/g, respectively. The findings of this study demonstrated that the mixture of CO and CUM essential oils exhibited a synergistic mode for E. aerogenes, and A. niger and an additive mode for L. monocytogenes, B. cereus, S. Typhimurium, S. cerevisiae and C. albicans and no significant effect was observed for S. pyogenes and S. dysentery. According to results, Receptor 5U6M exhibits the highest binding affinity for all ligands, as evident from the most negative docking scores. Conversely, receptor 6NTW demonstrates the lowest binding affinity among the receptors investigated. •Antimicrobial effect of Coriandrum sativum seed (CO) and Cuminum cyminum (CUM) against food-borne pathogenic was evaluated.•Combination of CO and CUM showed synergistic inhibition to Enterobacter aerogenes, and Aspergillus niger.•Synergistic activity between CO and CUM were simulated with multi-ligand molecular docking simulation.</abstract><pub>Elsevier Ltd</pub><doi>10.1016/j.lwt.2023.115217</doi><oa>free_for_read</oa></addata></record>
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subjects Antimicrobial characteristics
antimicrobial properties
antioxidant activity
Aspergillus niger
Bacillus cereus
Bacillus subtilis
Candida albicans
computer software
Coriandrum sativum
Cuminum cyminum
Enterobacter aerogenes
Essential oils
flavonoids
Food preservation
ligands
Listeria monocytogenes
Molecular docking
Saccharomyces cerevisiae
Salmonella Typhimurium
shigellosis
Streptococcus pyogenes
title Antimicrobial activity between Coriandrum sativum seed and Cuminum cyminum essential oils against foodborne pathogens: A multi-ligand molecular docking simulation
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