Non-Hemolytic and Non-Toxic Antimicrobial Peptides Commonly Identified from Cephalopods PSG by Three Prediction Models

Published: 18 September 2023| Version 1 | DOI: 10.17632/ccp94tgcp2.1
Guillermin Agüero-Chapin, Dany Domínguez-Pérez, Yovani Marrero-Ponce


The presented dataset comprises subsets of non-hemolytic antimicrobial peptides (AMPs), devoid from toxic signatures. These AMP subsets were identified using a consensus prediction approach that involved three machine learning (ML) models. The toxicity models were applied to non-hemolytic AMPs libraries (DOI: 10.17632/pvptjh7kmv.1), which originated from previously predicted AMPs (DOI: 10.17632/wwk7zzcfhv.1). These AMP libraries were derived from the screening of 13 peptide libraries (DOI: 10.17632/6fjsdnvygb.1) based on omics data from Cephalopods' Posterior Salivary Glands (DOI: 10.17632/gxmkytwdhx.1). The provided dataset includes 13 peptide FASTA files, each meticulously annotated with information regarding the enzyme(s) involved in the in silico digestion process on the aforementioned omics data. The non-hemolytic and non-toxic AMPs are categorized based on the application of a single enzyme (OE) or two enzymes (TE), with the latter being applied either sequentially (S) or concurrently (C). These identified non-hemolytic and non-toxic AMPs represent a unique and yet unexplored chemical landscape, holding immense potential to drive the discovery of novel peptide-based pharmaceutical agents.


Steps to reproduce

Non-toxic AMPs screening was conducted on non-hemolytic AMPs libraries from Cephalopods' Posterior Salivary Glands, available at doi: 10.17632/pvptjh7kmv.1, utilizing the following prediction models: 1. ToxiPred3_ML 2. ToxiPred3_HybridModel 3.ToxIBTL. Subsequent analysis involved the examination of prediction outputs from each model for every peptide library. Non-toxic AMPs consistently detected by all three models were identified across each library, representing the consensus of non-toxic AMPs for their respective peptide collections.


Universidade do Porto Centro Interdisciplinar de Investigacao Marinha e Ambiental


Cephalopoda, Toxicity, Omics, Peptide Library, Antimicrobial, Hemolysis