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Updated: Aug 6, 2025

Production and Visualization of Bacterial Spheroplasts and Protoplasts to Characterize Antimicrobial Peptide Localization
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Computational tools for exploring peptide-membrane interactions in gram-positive bacteria.

Shreya Kumar1,2, Rex Devasahayam Arokia Balaya1, Saptami Kanekar1

  • 1Centre for Integrative Omics Data Science, Yenepoya (Deemed to be University), Mangalore 575018, India.

Computational and Structural Biotechnology Journal
|March 23, 2023
PubMed
Summary
This summary is machine-generated.

Quorum sensing peptides (QSPs) regulate Gram-positive bacteria. Computational tools aid in identifying QSPs and their inhibitors for developing novel antibacterial therapies against infections.

Keywords:
3-HBA, 3–Hydroxybenzoic AcidAAC, Amino Acid CompositionABC, ATP-binding cassetteACD, Available Chemicals DatabaseAIP, Autoinducing PeptideAMP, Anti-Microbial PeptideATP, Adenosine TriphosphateAgr, Accessory gene regulatorBFE, Binding Free EnergyBIP InhibitorsBIP, Biofilm Inhibitory PeptidesBLAST, Basic Local Alignment Search ToolBNB, Bernoulli Naïve-BayesCADD, Computer-Aided Drug DesignCSP, Competence Stimulating PeptideCTD, Composition-Transition-DistributionD, AspartateDCH, 3,3′-(3,4-dichlorobenzylidene)-bis-(4-hydroxycoumarin)DT, Decision TreeFDA, Food and Drug AdministrationGBM, Gradient Boosting MachineGDC, g-gap DipeptideGNB, Gaussian NBGram-positive bacteriaH, HistidineH-Kinase, Histidine KinaseH-phosphotransferase, Histidine PhosphotransferaseHAM, HamamelitanninHGM, Human Gut MicrobiotaHNP, Human Neutrophil PeptideIT, Information Theory FeaturesIn silico approachesKNN, K-Nearest NeighborsMCC, Mathew Co-relation CoefficientMD, Molecular DynamicsMDR, Multiple Drug ResistanceML, Machine LearningMRSA, Methicillin Resistant S. aureusMSL, Multiple Sequence AlignmentOMR, OmargliptinOVP, Overlapping Property FeaturesPCP, Physicochemical PropertiesPDB, Protein Data BankPPIs, Protein-Protein InteractionsPSM, Phenol-Soluble ModulinPTM, Post Translational ModificationQS, Quorum SensingQSCN, QS communication networkQSHGM, Quorum Sensing of Human Gut MicrobesQSI, QS InhibitorsQSIM, QS Interference MoleculesQSP inhibitorsQSP predictorsQSP, QS PeptidesQSPR, Quantitative Structure Property RelationshipQuorum sensing peptidesRAP, RNAIII-activating proteinRF, Random ForestRIP, RNAIII-inhibiting peptideROC, Receiver Operating CharacteristicSAR, Structure-Activity RelationshipSFS, Sequential Forward SearchSIT, SitagliptinSVM, Support Vector MachineTCS, Two-Component SensoryTRAP, Target of RAPTRG, TrelagliptinWHO, World Health OrganizationmRMR, minimum Redundancy and Maximum Relevance

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Area of Science:

  • Microbiology
  • Computational Biology
  • Drug Discovery

Background:

  • Quorum sensing peptides (QSPs) are vital signaling molecules controlling cellular functions in Gram-positive bacteria.
  • These peptides are promising therapeutic targets for combating bacterial infections.
  • Current research trends focus on peptide drugs and computational methods for target identification.

Purpose of the Study:

  • To survey computational approaches for identifying quorum sensing peptides (QSPs) and their inhibitors.
  • To highlight the utility of these methods in developing biomarkers against Gram-positive pathogens.

Main Methods:

  • Review of existing databases like Quorumpeps and QSHGM.
  • Analysis of computational tools and algorithms such as QSPpred, QSPred-FL, iQSP, EnsembleQS, and PEPred-Suite.
  • Exploration of peptide features including amino acid composition, motifs, and physicochemical properties.

Main Results:

  • Identified various computational resources for QSP and inhibitor prediction.
  • Highlighted the role of peptide features in understanding QSP-receptor interactions.
  • Emphasized the potential of computational methods in drug discovery for infectious diseases.

Conclusions:

  • Computational methods are crucial for efficient identification and prediction of QSPs and QS interference molecules.
  • These tools facilitate the development of novel therapeutic strategies and biomarkers against Gram-positive bacterial infections.