Complex Networks and the Drug Repositioning Problem

TL;DR

This thesis explores the structure of drug-protein networks to understand their role in drug discovery and repurposing, especially for neglected tropical diseases, using network analysis and diffusion models.

Contribution

It analyzes the graph properties of multi-level drug-protein networks and applies this understanding to develop a drug repurposing recommendation system.

Findings

Network shape has historically guided drug discovery.

Network diffusion can prioritize drug repurposing.

Structural analysis reveals key insights into drug-protein interactions.

Abstract

In this Master's thesis, the graph properties of a multi-level drug-protein network are studied, as well as how the network's shape has informed discoveries over the years, identifying primarily crawling discoveries and a smaller number of hopping discoveries. Finally, the network structure is used to inform a network diffusion recommendation system and to prioritize existing drugs for repurposing against proteins in organisms that cause Neglected Tropical Diseases.