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BindingDB: a web-accessible molecular recognition database.

X Chen1, M Liu, M K Gilson

  • 1Center for Advanced Research in Biotechnology, University of Maryland Biotechnology Institute, Rockville, MD 20850, USA. chen@umbi.umd.edu

Combinatorial Chemistry & High Throughput Screening
|January 29, 2002
PubMed
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BindingDB is a new public database for molecular binding affinities. It offers diverse search options and detailed experimental data, facilitating research in drug discovery and molecular interactions.

Area of Science:

  • Biochemistry
  • Computational Chemistry
  • Bioinformatics

Background:

  • Accurate binding affinity data is crucial for understanding molecular interactions and drug development.
  • Existing databases may lack comprehensive data or user-friendly search functionalities.

Purpose of the Study:

  • To introduce BindingDB, a publicly accessible database of measured binding affinities.
  • To provide a versatile platform for querying binding data based on various criteria.
  • To establish a standardized data specification for experimental binding information.

Main Methods:

  • Development of a web-accessible database (BindingDB).
  • Implementation of diverse query functionalities (chemical similarity, sequence homology, numerical criteria, reactant names).

Related Experiment Videos

  • Adoption of Human-Computer Interaction principles for interface design.
  • Creation of detailed data dictionaries for experimental techniques like isothermal titration calorimetry.

    • Main Results:

    • BindingDB is now publicly available, offering access to measured binding affinities.
    • The database supports complex queries, enabling researchers to find specific molecular interactions.
    • Initial datasets include antigen-antibody and cyclodextrin/small molecule binding data.

    Conclusions:

    • BindingDB serves as a valuable resource for researchers studying molecular binding.
    • The database design emphasizes user-friendliness and detailed experimental data.
    • Future development aims to facilitate online data deposition by experimentalists to expand the resource.