A comprehensive dataset of therapeutic peptides on multi-function property and structure information

Abstract

This paper presents a comprehensive dataset comprising 58,583 experimentally validated therapeutic peptides with annotated structure information. These peptides are grouped into 47 categories based on their function or therapeutic property like antimicrobial or glucose-regulatory, of which 21,130 are multi-function peptides and 54,722 possess structural annotation information. We believe this dataset can be useful for the relevant research of therapeutic peptides, especially for computational tool developments in therapeutic peptide discovery and further exploration of the 'sequence-structure-function' relationship for therapeutic peptides.

Fig. 1

Technical process for data compiling. The pipeline consists of four major steps (from left to right): (1) Indication scope (green box), describing the 47 specific function classes focused by this study; (2) Data source (purple box), listing the 33 databases or datasets used as data source of our dataset; (3) Data compiling (orange box), comprising 21,130 multifunctional peptides, 54,722 tertiary structure files; (4) Normalization (pink box), which describes quality measures like duplication checks or outlier removal, completeness validation, and consensus validation in this study.

Fig. 2

Dataset comprising 15 major categories and 47 subcategories. Therapeutic peptides are classified into 15 major categories, each with specific subcategories.

Fig. 3

Distribution of peptide lengths, origins, and function categories. (a–c) Distribution of functional categories, sequence length and origin of therapeutic peptides.