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DAIKON: A Data Acquisition, Integration, and Knowledge Capture Web Application for Target-Based Drug Discovery.

Siddhant Rath1, Saswati Panda1, James C Sacchettini1

  • 1Department of Biochemistry & Biophysics, Texas A&M University, College Station, Texas 77843, United States.

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Summary
This summary is machine-generated.

DAIKON is an open-source framework designed to unify and manage drug discovery data, improving collaboration and knowledge sharing. This platform enhances data organization for multidisciplinary teams, accelerating the drug discovery pipeline.

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Area of Science:

  • Biochemistry
  • Computational Biology
  • Drug Discovery

Background:

  • Current data organization methods in drug discovery are insufficient for large-scale, multidisciplinary collaborations.
  • Effective data sharing and coordination require a unified platform for scientific information collection and analysis.

Purpose of the Study:

  • To present DAIKON, an open-source framework for integrating and managing drug discovery projects.
  • To facilitate collaboration and knowledge capture within target-based drug discovery portfolios.

Main Methods:

  • DAIKON integrates targets, screens, and hits, with knowledge capture for molecule property improvement.
  • The framework supports team collaboration via discussion threads and visual progress tracking.
  • It acts as a data repository, sourcing information from Mycobrowser, UniProt, and PDB.
  • DAIKON is modularized with distinct layers for extensibility and packaged using Docker for deployment.

Main Results:

  • DAIKON provides a unified platform for drug discovery data management and collaboration.
  • The framework supports globalizing drug discovery programs while respecting local workflow variations.
  • It is deployable on-premises or in VPC, with Active-Directory/SSO support for user administration.
  • DAIKON is currently implemented in the TB Drug Accelerator program (TBDA).

Conclusions:

  • DAIKON offers a scalable and consistent solution for data organization in drug discovery.
  • The framework enhances multidisciplinary team collaboration and accelerates the drug discovery process.
  • Its modular design and deployment options make it adaptable for various organizational needs.