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Defining clinical outcome pathways.

Daniel Korn1, Andrew J Thieme2, Vinicius M Alves2

  • 1Department of Computer Science, University of North Carolina, Chapel Hill, NC, USA; UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, USA.

Drug Discovery Today
|February 19, 2022
PubMed
Summary
This summary is machine-generated.

We introduce Clinical Outcome Pathways (COPs), a framework detailing molecular and cellular events driving drug effects. Utilizing knowledge graph mining, COPs can accelerate drug discovery and repurposing.

Keywords:
Clinical outcome pathwaysDrug repurposingKey molecular eventsKnowledge graphs

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Area of Science:

  • Pharmacology
  • Systems Biology
  • Computational Biology

Background:

  • Therapeutic effects of drugs are driven by a series of molecular and cellular events.
  • Understanding these event chains is crucial for drug discovery and development.
  • Current methods may not fully capture the complexity of drug-induced biological changes.

Purpose of the Study:

  • To introduce and define the concept of Clinical Outcome Pathways (COPs).
  • To formalize COPs as a sequence of molecular initiating event (MIE), intermediate events, and clinical outcome.
  • To demonstrate the utility of COPs in drug discovery and repurposing using a knowledge graph-mining tool.

Main Methods:

  • Conceptualization of Clinical Outcome Pathways (COPs).
  • Formalization of COP structure: MIE → intermediate event(s) → clinical outcome.
  • Application of the Reasoning Over Biomedical Objects linked in Knowledge-Oriented Pathways (ROBOKOP) tool for COP elucidation.

Main Results:

  • Defined COPs as a structured sequence of biological events.
  • Illustrated COP concept with examples for primary and repurposed drug applications.
  • Successfully elucidated COPs for selected drugs using the ROBOKOP knowledge graph-mining tool.

Conclusions:

  • Clinical Outcome Pathways provide a framework to understand drug mechanisms.
  • Biomedical knowledge graph mining, particularly with tools like ROBOKOP, aids in COP discovery.
  • Broader adoption of COP elucidation can accelerate drug discovery and repurposing efforts.