TY - JOUR
T1 - StarPep Toolbox
T2 - an open-source software to assist chemical space analysis of bioactive peptides and their functions using complex networks
AU - Aguilera-Mendoza, Longendri
AU - Ayala-Ruano, Sebastián
AU - Martinez-Rios, Felix
AU - Chavez, Edgar
AU - García-Jacas, CCrossed D.sign©sar R.
AU - Brizuela, Carlos A.
AU - Marrero-Ponce, Yovani
N1 - © The Author(s) 2023. Published by Oxford University Press.
PY - 2023/8/1
Y1 - 2023/8/1
N2 - 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.
AB - 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.
KW - Software
KW - Peptides
KW - Cluster Analysis
KW - Drug Repositioning
KW - High-Throughput Screening Assays
UR - http://www.scopus.com/inward/record.url?scp=85169290153&partnerID=8YFLogxK
U2 - 10.1093/bioinformatics/btad506
DO - 10.1093/bioinformatics/btad506
M3 - Artículo
C2 - 37603724
AN - SCOPUS:85169290153
SN - 1367-4803
VL - 39
JO - Bioinformatics
JF - Bioinformatics
IS - 8
M1 - btad506
ER -
