Hierarchical machine learning model predicts antimicrobial peptide activity against .

Hosein Khabaz, Mehdi Rahimi-Nasrabadi, Amir Homayoun Keihan
Author Information
  1. Hosein Khabaz: Molecular Biology Research Center, Systems Biology and Poisonings Institute, Baqiyatallah University of Medical Sciences, Tehran, Iran.
  2. Mehdi Rahimi-Nasrabadi: Molecular Biology Research Center, Systems Biology and Poisonings Institute, Baqiyatallah University of Medical Sciences, Tehran, Iran.
  3. Amir Homayoun Keihan: Molecular Biology Research Center, Systems Biology and Poisonings Institute, Baqiyatallah University of Medical Sciences, Tehran, Iran.

Abstract

is a dangerous pathogen which causes a vast selection of infections. Antimicrobial peptides have been demonstrated as a new hope for developing antibiotic agents against multi-drug-resistant bacteria such as . Yet, most studies on developing classification tools for antimicrobial peptide activities do not focus on any specific species, and therefore, their applications are limited. Here, by using an up-to-date dataset, we have developed a hierarchical machine learning model for classifying peptides with antimicrobial activity against . The first-level model classifies peptides into AMPs and non-AMPs. The second-level model classifies AMPs into those active against and those not active against this species. Results from both classifiers demonstrate the effectiveness of the hierarchical approach. A comprehensive set of physicochemical and linguistic-based features has been used, and after feature selection steps, only some physicochemical properties were selected. The final model showed the F1-score of 0.80, recall of 0.86, balanced accuracy of 0.80, and specificity of 0.73 on the test set. The susceptibility to a single AMP is highly varied among different target species. Therefore, it cannot be concluded that AMP candidates suggested by AMP/non-AMP classifiers are able to show suitable activity against a specific species. Here, we addressed this issue by creating a hierarchical machine learning model which can be used in practical applications for extracting potential antimicrobial peptides against from peptide libraries.

Keywords

References

  1. Sci Rep. 2016 Mar 08;6:22843 [PMID: 26953092]
  2. FEMS Microbiol Lett. 2014 Aug;357(1):63-8 [PMID: 24888447]
  3. Clin Infect Dis. 2008 Jun 1;46 Suppl 5:S368-77 [PMID: 18462092]
  4. J Chem Inf Model. 2014 May 27;54(5):1512-23 [PMID: 24730612]
  5. J Chem Inf Model. 2016 Mar 28;56(3):588-98 [PMID: 26960000]
  6. Brief Bioinform. 2022 Jul 18;23(4): [PMID: 35724561]
  7. Bioinformatics. 2013 Apr 1;29(7):960-2 [PMID: 23426256]
  8. Sci Rep. 2016 Jul 11;6:29707 [PMID: 27405275]
  9. Lancet. 2023 Dec 17;400(10369):2221-2248 [PMID: 36423648]
  10. ACS Comb Sci. 2016 Aug 8;18(8):490-8 [PMID: 27280735]
  11. Bioinformatics. 2017 Jul 01;33(13):1921-1929 [PMID: 28203715]
  12. J Chem Inf Model. 2018 May 29;58(5):1141-1151 [PMID: 29716188]
  13. Interface Focus. 2017 Dec 6;7(6):20160153 [PMID: 29147555]
  14. J Wound Care. 2010 Feb;19(2):45-6, 48-50, 52-3 [PMID: 20216488]
  15. Bioinformatics. 2010 Mar 1;26(5):680-2 [PMID: 20053844]
  16. Nat Biotechnol. 2006 Dec;24(12):1551-7 [PMID: 17160061]
  17. Antibiotics (Basel). 2020 Jan 13;9(1): [PMID: 31941022]
  18. IEEE/ACM Trans Comput Biol Bioinform. 2011 May-Jun;8(3):832-47 [PMID: 20479498]
  19. Nature. 2002 Jan 24;415(6870):389-95 [PMID: 11807545]

Word Cloud

Created with Highcharts 10.0.0modelantimicrobialpeptidesspeciesmachinelearningactivity0peptidehierarchicalselectiondevelopingclassificationspecificapplicationsclassifiesAMPsactiveclassifierssetphysicochemicalused80AMPdangerouspathogencausesvastinfectionsAntimicrobialdemonstratednewhopeantibioticagentsmulti-drug-resistantbacteriaYetstudiestoolsactivitiesfocusthereforelimitedusingup-to-datedatasetdevelopedclassifyingfirst-levelnon-AMPssecond-levelResultsdemonstrateeffectivenessapproachcomprehensivelinguistic-basedfeaturesfeaturestepspropertiesselectedfinalshowedF1-scorerecall86balancedaccuracyspecificity73testsusceptibilitysinglehighlyvariedamongdifferenttargetThereforeconcludedcandidatessuggestedAMP/non-AMPableshowsuitableaddressedissuecreatingcanpracticalextractingpotentiallibrariesHierarchicalpredictsStaphylococcusaureus

Similar Articles

Cited By