The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Pleotropic potential of quorum sensing mediated N-acyl homoserine lactones (AHLs) at the LasR and RhlR receptors of Pseudomonas aeruginosa
Open accessPreprint — published as 10.1007/s11224-022-02115-7 · Paper page
Abstract
Pseudomonas aeruginosa is an opportunistic pathogen, having complicated quorum sensing (QS) system utilizing multiple signals and receptors to coordinate virulence and pathogenicity. N-acyl-homoserine-lactones (AHLs) are the most common autoinducers responsible for regulation of QS mediated virulence gene expression. There are two interrelated QS systems in P. aeruginosa namely, LasI/R and RhlI/R, which are regulated by 3-oxo-C 12-HSL and C 4-HSL respectively and well explored in host-associated pathogenesis. The LasR and RhlR binding specificity to cognate or non-cognate HSLs influences the QS mediated responses. In the current study, using computational approaches we aimed to consolidate the interaction of different types of HSLs which are produced during P. aeruginosa infection with LasR and RhlR receptors. To explore the binding affinity, fourteen different AHLs were subjected for molecular docking analysis with LasR and RhlR receptors. The RhlR was modelled using MMseqs2 in ColabFold: Alpha fold 2. Further, to validate the stability and interaction mechanism, molecular dynamic simulations was performed with the top docked six HSLs for 100 ns. In docking results, apart from 3-oxo-C 12-HSL and C 4-HSL, other HSLs such as C 16-HSL and C 6-HSL showed better binding affinity towards LasR and RhlR respectively. Further validation by molecular dynamic simulations showed that 3-oxo-C 10-HSL has a stable complex formation with LasR and 3-oxo-C 6-HSL with RhlR. Our comprehensive Insilco study results may provide promising targets for development of anti-QS drugs against Las/Rhl QS systems.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Highly accurate protein structure prediction with AlphaFold
Jumper, J., Evans, R., Pritzel, A., Green, T., Figurnov, M., Ronneberger, O., Tunyasuvunakool, K., Bates, R., Žídek, A., Potapenko, A., et al. (2021) · Nature · doi:10.1038/s41586-021-03819-2 · Cited by 43,764
Metadata
- Authors
- Rex, D. A. B., Saptami, K., Chandrasekaran, J., & Rekha, P. D.
- Affiliations
- Yenepoya (Deemed to be University)
- Narsee Monjee Institute of Management Studies (IN)
- Yenepoya University (IN)
- Corresponding author
- Chandrasekaran, Jaikanth
- Rekha, Punchappady Devasya
- Venue
- Structural Chemistry
- Publisher
- Research Square Platform LLC
- Published
- 2022-07-20
- Volume
- 34
- Issue
- 4
- Pages
- 1327-1339
- ISSN
- 1040-0400 (ISSN-L)
- OpenAlex
- W4312222533
- Cited by
- 11
- References
- 1
- Citations by year
- 2026: 3 · 2025: 3 · 2024: 4 · 2023: 1
- FWCI
- 0.65
- Type
- journal article
- Language
- en
- Open access
- green
- doi.org
- Locations
- Structural Chemistry (publishedVersion)
- Research Square (acceptedVersion, cc-by)
- Topics
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Bacterial biofilms and quorum sensing
- Life Sciences › Pharmacology, Toxicology and Pharmaceutics › Drug Discovery › Computational Drug Discovery Methods
- Life Sciences › Agricultural and Biological Sciences › Plant Science › Plant Pathogenic Bacteria Studies
- Keywords
- Pseudomonas aeruginosa, quorum sensing, N-acyl homoserine lactones, LasR, RhlR, 3-oxo-C12-HSL, C4-HSL, virulence gene regulation, molecular docking, molecular dynamics simulation
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Pleotropic potential of quorum sensing mediated N-acyl homoserine lactones (AHLs) at the LasR and RhlR receptors of Pseudomonas aeruginosa. https://app.cochat.ai/papers/10.21203/rs.3.rs-1846281/v1
- The paper
- Rex, D. A. B., Saptami, K., Chandrasekaran, J., & Rekha, P. D. (2022). Pleotropic potential of quorum sensing mediated N-acyl homoserine lactones (AHLs) at the LasR and RhlR receptors of Pseudomonas aeruginosa. Structural Chemistry. https://doi.org/10.21203/rs.3.rs-1846281/v1
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
