Transcriptomic and Molecular Docking Analysis Reveal Virulence Gene Regulation-Mediated Antibacterial Effects of Benzyl Isothiocyanate Against Staphylococcus aureus.

Jianan Liu, Junya Zhu, Hongshun Hao, Jingran Bi, Hongman Hou, Gongliang Zhang

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Article in Applied biochemistry and biotechnology, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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6 authors.

Jianan LiuSchool of Food Science and Technology, Dalian Polytechnic University, Dalian, 116034, China.

Junya ZhuJinkui Food Science and Technology (Dalian) Co., Ltd, Dalian, 116000, China.

Hongshun HaoDepartment of Inorganic Nonmetallic Materials Engineering, Dalian Polytechnic University, Dalian, 116034, China.

Jingran BiSchool of Food Science and Technology, Dalian Polytechnic University, Dalian, 116034, China.

Hongman HouSchool of Food Science and Technology, Dalian Polytechnic University, Dalian, 116034, China.

Gongliang ZhangSchool of Food Science and Technology, Dalian Polytechnic University, Dalian, 116034, China. zgl_mp@163.com.ORCID http://orcid.org/0000-0003-2559-4282

Funding

Liaoning Provincial Natural Science Foundation of China No. 2019-MS-021National Key R and D Program of China No. 2019YFC1605902Program for Innovative Talents of Higher Learning Institutions of Liaoning No. LR2019009

6 · The paper itself

Abstract

Staphylococcus aureus (S. aureus) is a common pathogen that can cause many serious infections. Thus, efficient and practical techniques to fight S. aureus are required. In this study, transcriptomics was used to evaluate changes in S. aureus following treatment with benzyl isothiocyanate (BITC) to determine its antibacterial action. The results revealed that the BITC at subinhibitory concentrations (1/8th MIC) treated group had 94 differentially expressed genes compared to the control group, with 52 downregulated genes. Moreover, STRING analyses were used to reveal the protein interactions encoded by 36 genes. Then, we verified three significant virulence genes by qRT-PCR, including capsular polysaccharide synthesis enzyme (cp8F), capsular polysaccharide biosynthesis protein (cp5D), and thermonuclease (nuc). Furthermore, molecular docking analysis was performed to investigate the action site of BITC with the encoded proteins of cp8F, cp5D, and nuc. The results showed that the docking fraction of BITC with selected proteins ranged from - 6.00 to - 6.60 kcal/mol, predicting the stability of these complexes. BITC forms hydrophobic, hydrogen-bonded, π-π conjugated interactions with amino acids TRP (130), GLY (10), ILE (406), LYS (368), TYR (192), and ARG (114) of these proteins. These findings will aid future research into the antibacterial effects of BITC against S. aureus.

Indexed as

Anti-Bacterial AgentsIsothiocyanatesMolecular Docking SimulationStaphylococcus aureusBacterial ProteinsGene Expression Regulation, BacterialTranscriptomeVirulenceVirulence FactorsAnti-Bacterial AgentsBacterial Proteinsbenzyl isothiocyanateIsothiocyanatesVirulence FactorsBenzyl isothiocyanateDownregulationStaphylococcus aureusTranscriptomeVirulence genes

Identifiers

PMID38709426

DOI10.1021/acs.jafc.1c03979

What OpenQuestion holds

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Read underepoch 390

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.