ArticleInternational journal of oral science2017
In silico identification of potential inhibitors targeting Streptococcus mutans sortase A.
Article in International journal of oral science, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
20 citing papers in PubMed, 53 citations in OpenAlex.
- Synthesis, antibacterial, and antibiofilm activities of an adenosine-benzoic acid conjugate against Streptococcus mutans and Escherichia coli: insights from molecular docking.Folia microbiologica · 2026Article
- Berberine chloride hydrate impairs Streptococcus mutans biofilm formation via inhibiting sortase A activity.NPJ biofilms and microbiomes · 2025Article
- Advances and challenges in drug design against dental caries: Application ofJournal of pharmaceutical analysis · 2025Review
- Article
- Potential Antibacterial of Leaf Sirih Merah AgainstCombinatorial chemistry & high throughput screening · 2025Article
- Computational-aided drug design strategies for drug discovery and development against oral diseases.Frontiers in pharmacology · 2025Review
- Utilizing machine learning-based QSAR model to overcome standalone consensus docking limitation in beta-lactamase inhibitors screening: a proof-of-concept study.BMC chemistry · 2024Article
- Virtual Screening of Inhibitors ofACS medicinal chemistry letters · 2024Article
- In silico assessment of biocompatibility and toxicity: molecular docking and dynamics simulation of PMMA-based dental materials for interim prosthetic restorations.Journal of materials science. Materials in medicine · 2024Article
- Molecular Deformation Is a Key Factor in Screening Aggregation Inhibitor for Intrinsically Disordered Protein Tau.ACS central science · 2024Article
- Microbial Biofilm: A Review on Formation, Infection, Antibiotic Resistance, Control Measures, and Innovative Treatment.Microorganisms · 2023Review
- 3,4,3'-Tri-RSC advances · 2022Article
- Novel antimicrobial agents targeting theFrontiers in cellular and infection microbiology · 2022Review
- The dolabellane diterpenes as potential inhibitors of the SARS-CoV-2 main protease: molecular insight of the inhibitory mechanism through computational studies.RSC advances · 2021Article
- Small Molecule Compounds, A Novel Strategy againstPathogens (Basel, Switzerland) · 2021Review
- Exploration of stilbenoid trimers as potential inhibitors of sirtuin1 enzyme using a molecular docking and molecular dynamics simulation approach.RSC advances · 2021Article
- Bio-Mechanism Inhibitory Prediction of β-Sitosterol from Kemangi (Advances and applications in bioinformatics and chemistry : AABC · 2021Article
- In Silico Selection and In Vitro Evaluation of New Molecules That Inhibit the Adhesion ofInternational journal of molecular sciences · 2020Article
- TargetingMedChemComm · 2019Review
- Effect of SrtA on Interspecies Adherence of Oral Bacteria.Current medical science · 2018Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
9 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Dental caries is one of the most common chronic diseases and is caused by acid fermentation of bacteria adhered to the teeth. Streptococcus mutans (S. mutans) utilizes sortase A (SrtA) to anchor surface proteins to the cell wall and forms a biofilm to facilitate its adhesion to the tooth surface. Some plant natural products, especially several flavonoids, are effective inhibitors of SrtA. However, given the limited number of inhibitors and the development of drug resistance, the discovery of new inhibitors is urgent. Here, the high-throughput virtual screening approach was performed to identify new potential inhibitors of S. mutans SrtA. Two libraries were used for screening, and nine compounds that had the lowest scores were chosen for further molecular dynamics simulation, binding free energy analysis and absorption, distribution, metabolism, excretion and toxicity (ADMET) properties analysis. The results revealed that several similar compounds composed of benzofuran, thiadiazole and pyrrole, which exhibited good affinities and appropriate pharmacokinetic parameters, were potential inhibitors to impede the catalysis of SrtA. In addition, the carbonyl of these compounds can have a key role in the inhibition mechanism. These findings can provide a new strategy for microbial infection disease therapy.
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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.