Design and synthesis of novel, subtype-selective a 1 - adrenoceptor antagonists, dopamine D 4 ligands, HIV reverse transcriptase inhibitors and antimalarial and anti-cancer agents.
Ligand-based (pharmacophore methods) and structure-based drug design methods.
Investigation and modulation of the conformational flexibility of nitrogen containing heterocycles.
Study of the interaction between receptors and their natural agonists and the conformational changes in the receptor upon activation, creating and using computer-derived models (in the absence of any detailed 3D structures).
Mechanism of inhibition of HIV-1 reverse transcriptase by non-nucleoside inhibitors.
Mode of action, structure-activity relationships of antimalarial compounds.
Development of new computer-aided molecular modelling techniques
