Predictive Model of Linear Antimicrobial Peptides Active against Gram-Negative Bacteria

J Chem Inf Model. 2018 May 29;58(5):1141-1151. doi: 10.1021/acs.jcim.8b00118. Epub 2018 May 11.

Abstract

Antimicrobial peptides (AMPs) have been identified as a potential new class of anti-infectives for drug development. There are a lot of computational methods that try to predict AMPs. Most of them can only predict if a peptide will show any antimicrobial potency, but to the best of our knowledge, there are no tools which can predict antimicrobial potency against particular strains. Here we present a predictive model of linear AMPs being active against particular Gram-negative strains relying on a semi-supervised machine-learning approach with a density-based clustering algorithm. The algorithm can well distinguish peptides active against particular strains from others which may also be active but not against the considered strain. The available AMP prediction tools cannot carry out this task. The prediction tool based on the algorithm suggested herein is available on https://dbaasp.org.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Antimicrobial Cationic Peptides / chemistry*
  • Antimicrobial Cationic Peptides / pharmacology*
  • Cluster Analysis
  • Computer Simulation
  • Gram-Negative Bacteria / drug effects*
  • Machine Learning*
  • Models, Theoretical*

Substances

  • Antimicrobial Cationic Peptides