Research

Current Research Projects

My research is focused on characterisation of properties and biological effects of compounds using cheminformatics as well as wet laboratory experimentations. In cheminformatics, I use various computer-based methods such as molecular modelling, docking, QSAR with various data mining methods  to predict a wide range of drug properties and mechanisms in order to aid drug discovery (virtual screening and rational drug design) and repurposing. My current research projects includes:

  1. Mechanistic studies on measuring the effects of compounds on various aspects of mitochondrial function, and its relationship to their chemical structures
  2. Modelling of ADME/Tox properties such as characterisation of distribution and elimination routes of drugs and prediction of drug pharmacokinetics
  3. Prediction of drug toxicities such as drug induced hepatotoxicity and phospholipidosis
  4. Interaction of compounds with various ABC and SLC transporter proteins
  5. Effect of formulation factors on transdermal absorption of compounds using permeation studies and computational modelling
  6. Characterisation of properties of pregelatinized starch as a pharmaceutical excipient
  7. Estimation of the effects of compounds/drugs on ageing