DBAASP v3: database of antimicrobial/cytotoxic activity and structure of peptides as a resource for development of new therapeutics

Abstract The Database of Antimicrobial Activity and Structure of Peptides (DBAASP) is an open-access, comprehensive database containing information on amino acid sequences, chemical modifications, 3D structures, bioactivities and toxicities of peptides that possess antimicrobial properties. DBAASP i...

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Bibliographic Details
Published in:Nucleic acids research 2021-01, Vol.49 (D1), p.D288-D297
Main Authors: Pirtskhalava, Malak, Amstrong, Anthony A, Grigolava, Maia, Chubinidze, Mindia, Alimbarashvili, Evgenia, Vishnepolsky, Boris, Gabrielian, Andrei, Rosenthal, Alex, Hurt, Darrell E, Tartakovsky, Michael
Format: Article
Language:English
Subjects:
Anti-Infective Agents - chemistry
Anti-Infective Agents - pharmacology
Antimicrobial Cationic Peptides - chemistry
Antimicrobial Cationic Peptides - pharmacology
Cytotoxins - chemistry
Cytotoxins - pharmacology
Database Issue
Databases, Protein
Humans
Molecular Dynamics Simulation
Molecular Sequence Annotation
Protein Conformation, alpha-Helical
Protein Conformation, beta-Strand
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Summary:Abstract The Database of Antimicrobial Activity and Structure of Peptides (DBAASP) is an open-access, comprehensive database containing information on amino acid sequences, chemical modifications, 3D structures, bioactivities and toxicities of peptides that possess antimicrobial properties. DBAASP is updated continuously, and at present, version 3.0 (DBAASP v3) contains >15 700 entries (8000 more than the previous version), including >14 500 monomers and nearly 400 homo- and hetero-multimers. Of the monomeric antimicrobial peptides (AMPs), >12 000 are synthetic, about 2700 are ribosomally synthesized, and about 170 are non-ribosomally synthesized. Approximately 3/4 of the entries were added after the initial release of the database in 2014 reflecting the recent sharp increase in interest in AMPs. Despite the increased interest, adoption of peptide antimicrobials in clinical practice is still limited as a consequence of several factors including side effects, problems with bioavailability and high production costs. To assist in developing and optimizing de novo peptides with desired biological activities, DBAASP offers several tools including a sophisticated multifactor analysis of relevant physicochemical properties. Furthermore, DBAASP has implemented a structure modelling pipeline that automates the setup, execution and upload of molecular dynamics (MD) simulations of database peptides. At present, >3200 peptides have been populated with MD trajectories and related analyses that are both viewable within the web browser and available for download. More than 400 DBAASP entries also have links to experimentally determined structures in the Protein Data Bank. DBAASP v3 is freely accessible at http://dbaasp.org.
ISSN:0305-1048
1362-4962
DOI:10.1093/nar/gkaa991