topicalpdb

TopicalPDB catalogs experimentally validated peptides delivered via topical administration, providing curated sequence, modification, structural, and assay data to support research on non-invasive peptide delivery.

Key Features:

• Curation scope: 657 experimentally verified peptide entries compiled from research articles, categorized by delivery route: skin (462), eye (173), and nose (22).
• Entry annotations: Each entry reports source of origin, peptide nature, length, N- and C-terminal modifications, mechanisms of penetration through biological barriers, types of assays used for validation, cargo properties, and biological activities.
• Non-natural residues: Includes peptides with chemically modified residues and D-amino acids in addition to natural peptides.
• Structural predictions: Predicted tertiary structures provided for peptides, generated using PEPstrMod.
• Chemical representation: Peptide sequences are available in SMILES format for computational analyses.
• Comparative analyses: Similarity searches and assessments of structural similarity among peptides are supported for comparative studies.

Scientific Applications:

• Peptide design: Inform design of new peptides optimized for topical administration by providing sequences, modifications, and structural data.
• Mechanism analysis: Facilitate investigation of mechanisms of penetration across skin, eye, and nasal barriers using annotated assay data and predicted structures.
• Modification studies: Enable evaluation of the impact of chemically modified residues and D-amino acids on topical delivery and activity.
• Computational modeling: Support structure–function and in silico analyses using PEPstrMod predictions and SMILES representations.
• Comparative evaluation: Allow comparative analysis of cargo properties and biological activities across topically delivered peptides.

Methodology:

Tertiary structures were predicted using PEPstrMod; peptide sequences are provided in SMILES format; similarity searches and structural similarity assessments were applied to sequences and predicted structures.