anandr88/hemolytik2: Hemolytik 2: An Updated Database of Hemolytic Peptides and Proteins

Hemolytik 2: An Updated Database of Hemolytic Peptides and Proteins

Title:

Hemolytik 2.0 Database – Complete Dataset of Hemolytic and Non-Hemolytic Peptides

Description:

Project: Hemolytik 2.0

Publication: Singh, A., Raj SA, K., Rathore, A.S., & Raghava, G.P.S. (2025). Hemolytic 2: An Updated Database of Hemolytic Peptides and Proteins. ACS Chemical Research in Toxicology. https://doi.org/10.1021/acs.chemrestox.5c00322

Overview: This dataset is the official release accompanying the Hemolytik 2.0 database publication. It contains 13,215 systematically curated entries of experimentally validated hemolytic and non-hemolytic peptides, providing a comprehensive resource for peptide drug development and computational toxicology.

Content: The data includes unique peptide sequences (7,534), their amino acid sequences, hemolytic activity measurements, biological source, stereochemistry, terminal modifications, structural classification (linear/cyclic), and predicted tertiary structures (where available). The dataset also includes peptides associated with antimicrobial, anticancer, and other bioactivities.

Data Curation: Information was manually extracted from 1,645 peer-reviewed articles published between 2013 and 2024, as well as major peptide databases (APD3, UniProt, CAMP-R4, DRAMP 4.0). The complete methodology is detailed in the associated publication.

File Descriptions:

• hemolytik2.csv: Complete dataset with columns for ID, peptide name, sequence, hemolytic activity, source organism, RBC source, modifications, and publication details.

• hemolytik2.fasta: All peptide sequences in FASTA format for bioinformatics analyses.

• structures/: Predicted tertiary structures in PDB format for over 10,000 peptides.

Usage: This dataset is designed for large-scale analyses, including machine learning model training, Quantitative Structure-Activity Relationship (QSAR) studies, and the rational design of non-hemolytic therapeutic peptides. It supports researchers in identifying and optimizing peptide candidates with improved safety profiles.

License: CC BY 4.0

Contact: raghava@iiitd.ac.in