iDVEIP: A computer-aided approach for the prediction of viral entry inhibitory peptides

Proteomics. 2024 May;24(9):e2300257. doi: 10.1002/pmic.202300257. Epub 2024 Jan 23.

Abstract

With the notable surge in therapeutic peptide development, various peptides have emerged as potential agents against virus-induced diseases. Viral entry inhibitory peptides (VEIPs), a subset of antiviral peptides (AVPs), offer a promising avenue as entry inhibitors (EIs) with distinct advantages over chemical counterparts. Despite this, a comprehensive analytical platform for characterizing these peptides and their effectiveness in blocking viral entry remains lacking. In this study, we introduce a groundbreaking in silico approach that leverages bioinformatics analysis and machine learning to characterize and identify novel VEIPs. Cross-validation results demonstrate the efficacy of a model combining sequence-based features in predicting VEIPs with high accuracy, validated through independent testing. Additionally, an EI type model has been developed to distinguish peptides specifically acting as Eis from AVPs with alternative activities. Notably, we present iDVEIP, a web-based tool accessible at http://mer.hc.mmh.org.tw/iDVEIP/, designed for automatic analysis and prediction of VEIPs. Emphasizing its capabilities, the tool facilitates comprehensive analyses of peptide characteristics, providing detailed amino acid composition data for each prediction. Furthermore, we showcase the tool's utility in identifying EIs against severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2).

Keywords: antiviral therapy agent; entry inhibitor; entry inhibitory activity; machine learning; viral entry inhibitory peptide.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Antiviral Agents* / chemistry
  • Antiviral Agents* / pharmacology
  • COVID-19 / virology
  • COVID-19 Drug Treatment
  • Computational Biology* / methods
  • Computer Simulation
  • Humans
  • Machine Learning*
  • Peptides* / chemistry
  • Peptides* / pharmacology
  • SARS-CoV-2* / drug effects
  • Software
  • Virus Internalization* / drug effects

Substances

  • Antiviral Agents
  • Peptides