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Hemolytik 2: An Updated Database of Hemolytic Peptides and Proteins
Ayushi Singh1, Kavin Raj Sa1, Anand Singh Rathore1
1Department of Computational Biology, Indraprastha Institute of Information Technology, Okhla Phase 3, New Delhi 110020, India.
Insights
Hemolytik 2.0 is an updated database of validated hemolytic and nonhemolytic peptides. It aids researchers in designing safer therapeutic peptides by providing comprehensive data and analysis tools.
Area of Science:
- Biochemistry
- Bioinformatics
- Drug Discovery
Background:
- Hemolytic peptides pose challenges in therapeutic applications.
- Accurate data on peptide hemolytic activity is crucial for drug development.
- Existing resources may lack comprehensive, curated information.
Purpose of the Study:
- To present Hemolytik 2.0, an enhanced manually curated database of experimentally validated hemolytic and nonhemolytic peptides.
- To facilitate the identification and optimization of therapeutic peptides with reduced hemolytic potential.
- To provide programmatic access to peptide data through a RESTful API.
Main Methods:
- Manual curation of data from peer-reviewed literature and established peptide repositories.
- Extraction of detailed annotations including sequence, source, activity, and structural information.
- Integration of molecular representations (SMILES) and predicted structures.
Main Results:
- Hemolytik 2.0 contains 13,215 entries from 1645 articles, covering 7534 unique peptides.
- Each entry includes comprehensive annotations on peptide properties and experimentally determined hemolytic activity.
- A RESTful API and downloadable data formats (e.g., on GitHub) are available.
Conclusions:
- Hemolytik 2.0 is a valuable, updated resource for researchers in peptide therapeutics.
- The database supports the design of safer peptide candidates by providing critical hemolytic activity data.
- Programmatic access and diverse data formats enhance the utility for scientific research.
Abstract:
Hemolytik 2.0 (http://webs.iiitd.edu.in/raghava/hemolytik2/) is a comprehensive, manually curated database that provides experimentally validated information on both hemolytic and nonhemolytic peptides. Data were meticulously extracted from peer-reviewed publications and established peptide repositories, including the Antimicrobial Peptide Database, UniProt, the Collection of Antimicrobial Peptides (CAMP-R4), and the data repository of antimicrobial peptides (DRAMP 4.0). This updated version of the original Hemolytik resource comprises 13,215 unique entries from 1645 research articles, representing approximately 7534 unique peptides. Each entry in Hemolytik 2.0 offers detailed annotations, including peptide name, amino acid sequence, biological source and origin, functional characterization, terminal modifications, stereochemistry, structural classification (linear or cyclic), and experimentally determined hemolytic activity. In addition, the database provides molecular representations of peptides in SMILES (Simplified Molecular Input Line Entry System) format, alongside predicted tertiary structures and annotated secondary structural states. Additionally, a RESTful API has been integrated into the Hemolytik 2.0 repository to enable programmatic access and automated retrieval of peptide data. Hemolytik 2.0 serves as a valuable resource for the scientific community, particularly for researchers involved in the design and development of therapeutic peptides, by facilitating the identification and optimization of peptide candidates with minimal hemolytic potential and enhanced safety profiles. In addition, Hemolytik 2.0 is also available on GitHub (https://github.com/raghavagps/Hemolytik2), where users can download the complete systematic data in different formats.
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