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AHTPDB: Antihypertensive Peptides Database

Welcome to the official repository for AHTPDB, a comprehensive and manually curated database of experimentally validated antihypertensive peptides (AHTPs). This resource is designed to support researchers in peptide therapeutics, hypertension biology, and computational drug discovery.

Web Server: http://crdd.osdd.net/raghava/ahtpdb/

ZENODO : https://doi.org/10.5281/zenodo.20065627

Citation

Kumar, R., Chaudhary, K., Sharma, M., Nagpal, G., Chauhan, J. S., Singh, S., Gautam, A., & Raghava, G. P. S. (2015). AHTPDB: a comprehensive platform for analysis and presentation of antihypertensive peptides. Nucleic Acids Research, 43(Database issue), D956–D962. https://doi.org/10.1093/nar/gku1141

About the Database

AHTPDB is a dedicated and comprehensive platform for systematic collection, storage, and presentation of antihypertensive peptides. It consolidates scattered experimental findings from independent research studies into a centralized platform, enabling systematic exploration of peptide sequences, structures, sources, and biological activities.

The database integrates information from:

  • Literature (PubMed, ~350 research articles)
  • Public repositories (ACEpepDB, BIOPEP, EROP-Moscow)

Key Features

Massive Dataset

  • 5978 total entries
  • 1694 unique peptides
  • 3364 entries with IC50 values

Extensive Coverage

  • 35 major peptide sources (milk, egg, fish, pork, chicken, soybean, etc.)
  • Peptides from natural food, fungi, algae, microorganisms, insects, and snake venom

Rich Annotations

Each entry includes:

  • Sequence, length, molecular mass, isoelectric point
  • Source of peptide (natural or synthetic)
  • Inhibitory concentration (IC50) and log value (pIC50)
  • Toxicity/bitterness value
  • Purification technique and assay method
  • In vivo animal model data and decrease in systolic blood pressure (SBP)
  • PubMed ID and year of publication

Structural Data

  • Predicted tertiary structures via PEPstr algorithm
  • Secondary structure assignment using DSSP
  • SMILES representations for molecular analysis
  • Structures for peptides of length 2–30 residues

Overview

AHTPDB provides experimentally validated data along with:

  • ACE-inhibiting activity profiles
  • Physicochemical and structural properties
  • Source-specific peptide coverage
  • Toxicity and bitterness annotations
  • In vivo efficacy data (SBP reduction in rat models)
  • Cross-references (PubMed, ACEpepDB, BIOPEP, EROP-Moscow)

Structure Prediction

Structures were predicted using:

  • PEPstr — de novo tertiary structure prediction for peptides (length 5–30 residues), with extended molecular dynamics simulation of 1 ns using AMBER 11
  • Custom approach — phi/psi torsion angle restraints at 180° for di-, tri-, and tetrapeptides, followed by AMBER simulation
  • DSSP — secondary structure assignment from predicted tertiary structures
  • Open Babel — conversion of tertiary structures to SMILES notation

Web Tools Integrated

Search

  • Basic search — query any database field
  • Advanced search — multi-field queries
  • Peptide search — containing or exact match
  • SMILES search — molecular structure-based search

Explore / Browse

  • By source (35 major categories)
  • By peptide length
  • By IC50 range and units
  • By physicochemical properties

Analysis Tools

  • Smith-Waterman similarity search
  • Sequence alignment
  • Mapping (super-search and sub-search)
  • Amino acid composition and frequency analysis
  • Physicochemical property analysis
  • Secondary and tertiary structure tools

Limitations

  • Structure of 36 peptides containing pyroglutamine (non-natural residue) could not be predicted due to unavailability of special force fields
  • One peptide of length 81 residues was excluded from structure prediction
  • Bitterness/toxicity values available for only 156 entries (limited by literature availability)
  • SBP decrease values were approximated from graphs where exact values were not provided

Applications

  • Antihypertensive peptide design and discovery
  • Machine learning model training for AHTP prediction
  • Structure-function analysis
  • Food additive safety and efficacy research
  • In silico screening and drug discovery pipelines

Contact & Authors

Prof. Gajendra P. S. Raghava Email - raghava@iiitd.ac.in IIIT Delhi

License

This database is distributed under the Creative Commons Attribution Non-Commercial License (CC BY-NC 4.0)

We acknowledge all researchers whose published work contributed to this dataset.

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AHTPDB: a comprehensive platform for analysis and presentation of antihypertensive peptides

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