PRIMED for Medicinal Chemistry: Precision AI-Informed Molecular Editing

The PhD focuses on innovative precision molecule editing and diversification. PRIMED combines late stage enzymatic halogenation with synthetic diversification of aryl and allyl halides. Formation of C-X bonds (where X is F, Cl, Br, or I) is crucial for pharmaceutical and agrochemical industries. Halogenation modulates bioactivity, bioavailability, and metabolic stability, providing a reactive and selectively functionalisable handle for molecular building. Current industrial methods require Cl2 and Br2, have fragile supply chains, introduce C-X bonds early, lack selectivity, and produce hard-to-separate mixtures. Consequently, only simple halogenated building blocks are produced. Enzymes offer exquisite selectivity, enabling precision late-stage halogenation with salt as the halogen source, generating a single product and accepting complex bioactive scaffolds as substrates. You will engage in multidisciplinary research within an international, inclusive group focusing on medicinal chemistry. The work involves synthesising and enzymatically halogenating complex molecules to develop precision editing methods. Candidates will apply AI and machine learning tools embedded in chemistry, biochemistry, and enzymology to innovate halogenation processes and synthetic diversification. Collaboration between bioinformatics, synthetic biology, and synthetic chemistry will enhance Development of selective enzymatic processes transforming pharmaceutical and agrochemical synthesis. Creation of sustainable, precision halogenation techniques avoiding hazardous reagents. Progress towards AI-informed methodologies for molecular diversification supporting drug discovery. Publication of innovative research advancing medicinal chemistry and synthetic biochemistry interface Improving halogenation selectivity transforms pharmaceutical and agrochemical production efficiency, sustainability, and innovation. Addressing current industrial limitations reduces environmental impact and reliance on unstable supply chains. This research enables production of complex bioactive molecules with precision functionalisation, enhancing future drug development and enabling new chemical entities.

Exceptional, talented candidates with strong backgrounds and excellent first degree or masters with prior research experience are sought. Skills in AI plus chemistry or enzymology, medicinal chemistry, software engineering in chemistry/biochemistry, synthetic organic chemistry (multi-step/total synthesis/natural products), enzymology, molecular biology, microbiology, or bioinformatics are desirable.

Applications are accepted all year round. We aim to appoint by May but will hold the position open until suitable candidates are found.