ArticleScientific reports2015
Novel inhibitor discovery and the conformational analysis of inhibitors of listeriolysin O via protein-ligand modeling.
Article in Scientific reports, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 27 citations in OpenAlex.
- Dryocrassin ABBA Inhibits the Function of LLO and SortaseA to Alleviate the Virulence ofJournal of microbiology and biotechnology · 2026Article
- The Application of Cinnamon Twig Extract as an Inhibitor of Listeriolysin O againstMolecules (Basel, Switzerland) · 2023Article
- Interactions with Microbial Proteins Driving the Antibacterial Activity of Flavonoids.Pharmaceutics · 2021Review
- Morin inhibits Listeria monocytogenes virulence in vivo and in vitro by targeting listeriolysin O and inflammation.BMC microbiology · 2020Article
- Discovery of a Novel Natural Allosteric Inhibitor That Targets NDM-1 AgainstFrontiers in pharmacology · 2020Article
- Regulation ofMicrobiology spectrum · 2019Review
- Quercetin impairs Streptococcus pneumoniae biofilm formation by inhibiting sortase A activity.Journal of cellular and molecular medicine · 2018Article
- Article
- Insight into the interaction mechanism of human SGLT2 with its inhibitors: 3D-QSAR studies, homology modeling, and molecular docking and molecular dynamics simulations.Journal of molecular modeling · 2018Article
- Oligopeptide Targeting Sortase A as Potential Anti-infective Therapy forFrontiers in microbiology · 2018Article
- Host-inherent variability influences the transcriptional response of Staphylococcus aureus during in vivo infection.Nature communications · 2017Article
- Curcumin Promotes the Clearance ofFrontiers in immunology · 2017Article
- Phloretin AttenuatesFrontiers in cellular and infection microbiology · 2017Article
- Quercitrin, an inhibitor of Sortase A, interferes with the adhesion of Staphylococcal aureus.Molecules (Basel, Switzerland) · 2015Article
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Authors and funding
7 authors at 1 institution in 1 country.
Funding
Abstract
Increasing bacterial resistance to available antibiotics makes the discovery of novel efficacious antibacterial agents a priority. A previous report showed that listeriolysin O (LLO) is a critical virulence factor and suggested that it is a target for developing anti-virulence drugs against Listeria monocytogenes infections. In this study, we report the discovery of LLO natural compound inhibitors with differential activity by using hemolysis assay. The mechanism of action of the inhibitors was consistent with that of fisetin, a natural flavonoid without antimicrobial activity, which we showed in our previous report via molecular simulation. Furthermore, a substantial increase in anti-hemolytic activity was observed when the single bond (C1-C2) was replaced by a double bond (C1-C2) in the inhibitor molecule. This change was based on the decomposition of the ligand-residue interaction, which indicated that the double bond (C1-C2) in the inhibitors was required for their inhibition of LLO. The current MD simulation work provides insights into the mechanism by which the compounds inhibit LLO at the atomic level and will be useful for the development of new, selective LLO inhibitors.
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Registered trials
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.