StarPep Toolbox: an open-source software to assist chemical space analysis of bioactive peptides and their functions using complex networks

Longendri Aguilera-Mendoza, Sebastián Ayala-Ruano, Felix Martinez-Rios, Edgar Chavez, CCrossed D.sign©sar R. García-Jacas, Carlos A. Brizuela, Yovani Marrero-Ponce

Research output: Contribution to journalArticlepeer-review

Abstract

MOTIVATION: Antimicrobial peptides (AMPs) are promising molecules to treat infectious diseases caused by multi-drug resistance pathogens, some types of cancer, and other conditions. Computer-aided strategies are efficient tools for the high-throughput screening of AMPs.

RESULTS: This report highlights StarPep Toolbox, an open-source and user-friendly software to study the bioactive chemical space of AMPs using complex network-based representations, clustering, and similarity-searching models. The novelty of this research lies in the combination of network science and similarity-searching techniques, distinguishing it from conventional methods based on machine learning and other computational approaches. The network-based representation of the AMP chemical space presents promising opportunities for peptide drug repurposing, development, and optimization. This approach could serve as a baseline for the discovery of a new generation of therapeutics peptides.

AVAILABILITY AND IMPLEMENTATION: All underlying code and installation files are accessible through GitHub (https://github.com/Grupo-Medicina-Molecular-y-Traslacional/StarPep) under the Apache 2.0 license.

Original languageEnglish
Article numberbtad506
JournalBioinformatics
Volume39
Issue number8
DOIs
StatePublished - 1 Aug 2023

Keywords

  • Software
  • Peptides
  • Cluster Analysis
  • Drug Repositioning
  • High-Throughput Screening Assays

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