Research/Current Projects

Research interests

  • Cheminformatics

  • Insilico toxicity with respects to models alternatives/reduction to animal trials

  • Computer-aided drug discovery

  • Drug repositioning

  • Immunoinformatics

Current projects

  • Computational methods for prediction of chemical toxicity

  • Prediction and Analysis of hepatotoxic drugs related to Cytochrome P450 induction/inhibition

  • Prediction of novel drugs responsible for fatty liver disease in context of metabolic network

  • Potential drug repositioning opportunities for Ebola Virus Disease

  • Development of novel in silico method for the prediction of biosynthetic pathways

  • Network-based Medicine for COVID-19 drug repurposing

  • Computational prediction of COVID-19 main protease inhibitors

Webservers and databases

  • ProTox-II-Prediction Of Toxicity Of Chemicals ProTox-II virtual lab

  • SuperCYPsPred- A Web Server for the Prediction of Cytochrome Activity SuperCYPsPred platform

  • Super Natural II- a database of natural products Super Natural II database

  • VirtualTaste: A web-server for the prediction of organoleptic properties of chemical compounds