肽
计算机科学
计算生物学
鉴定(生物学)
数据库
肽序列
资源(消歧)
抗菌剂
抗菌肽
化学
情报检索
生物信息学
注释
生物数据库
工作流程
氨基酸残基
组合化学
研究数据
数据挖掘
大肠杆菌蛋白质类
生物化学
数据类型
数据整理
序列(生物学)
作者
Ayushi Singh,Kavin Raj SA,Anand Singh Rathore,Gajendra P. S. Raghava
标识
DOI:10.1021/acs.chemrestox.5c00322
摘要
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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