Automated, miniaturized and accelerated drug discovery: AMADEUS

Introduction

The mantra ‘Automation + Miniaturization = Acceleration’ is successfully applied in many research areas and technologies, but not in synthetic chemistry, which is largely believed to be not automatable. However, with the potential to accelerate discoveries while flattening costs, increase safety, streamline data generation, enhance reproducibility, and lower the environmental footprint, automation and miniaturization are two promising approaches to synthesis and are worthwhile to invest in.

Project Overview

I will engineer and validate a comprehensive technology platform, AMADEUS (Automated, MiniAturizeD, and acceleratEd drUg diScovery), which is able to synthesize in a fully autonomous manner thousands of small molecules per day in nano- or picolitre volumes, based on hundreds of chemistries, efficiently screened and optimized for properties using artificial intelligence.

Technical Details

The AMADEUS process will be achieved by interfacing four different modules:

1. A synthetic part based on acoustic droplet ejection technology.
2. A UPLC MS QC and purification module.
3. A flexible mounted screening unit.
4. A machine learning module that retrieves and processes all relevant synthesis, QC, and screening ‘real-time’ data and automatically guides the iterative optimization cycle.

Applications

AMADEUS will be showcased with several medicinal chemistry, catalysis, and organic chemistry projects.

Challenge to Traditional Processes

With my project, I want to challenge the early drug discovery process, which for over 50 years in pharma companies around the world has (almost uniformly) been pursued and comprises two blocks:

1. A high throughput screen relying on millions of curated and stored compounds.
2. The subsequent hit-to-lead optimization phase often called the ‘design, make, test cycle’.

Impact

AMADEUS will contribute to the accelerated discovery of drugs for unmet medical needs and ultimately reduce drug costs for patients.

Sustainability

AMADEUS is a highly sustainable synthesis platform.

Democratization of Drug Discovery

AMADEUS will help democratize drug discovery.