Integrating AI, Big Data and Smart Drug Design against 'Superbugs'

Project: Research

Project Details

Project Description

The World Health Organization (WHO) has identified antibiotic resistance as an urgent serious global threat. Acinetobacter baumannii is among the three WHO top-priority ‘superbugs’ against which polymyxins are the last- resort and no new antibiotics will be available in the near future. Unfortunately, kidney toxicity has limited the optimal use of polymyxins and resistance has emerged. We recently developed structure-activity-toxicity relationship models for polymyxins, and synthesised ~1,300 analogues for mechanistic investigations. This project will be the first to employ cutting-edge all-atom molecular dynamic simulations, Big Data, machine learning, and artificial intelligence to design new-generation polymyxins, and target the imperative global challenge.
Effective start/end date1/01/2031/12/23


  • Artificial Intelligence
  • Big Data
  • Drug Design
  • Antibiotic Resistance
  • Superbugs
  • Polymyxins
  • Molecular Dynamics
  • Machine Learning
  • Acinetobacter baumannii