Computer-aided drug design (CADD) is an exciting and diverse discipline where various aspects of applied and basic research merge and stimulate each other. In the early stage of a drug discovery process, researchers may be faced with little or no structure activity relationship (SAR) information. The process by which a new drug is brought to market stage is referred to by a number of names most commonly as the development chain or “pipeline” and consists of a number of distinct stages. To design a rational drug, we must firstly find out which proteins can be the drug targets in pathogenesis. The strategies for CADD vary depending on the extent of structural and other information available regarding the target (enzyme/receptor) and the ligands.

The current training programme is designed especially for the biologists so as to acquaint them with fundamentals of biomolecular modeling and computer-aided drug designing. The key topics include:

1. Visualization and prediction of protein structures
2. Introduction to computer-aided drug designing, properties and drug-likeness of small molecules.
3. Quantitative Structure Activity Relationship (QSAR), target-based drug designing.
4. Ligand-based drug designing: Protein–ligand interaction using docking.
5. Hands on practicals with molecular dynamics simulations.

N.B. More emphasis will be given on hands-on sessions with an aim to develop practical skills on tools and techniques employed in CADD.

A total of 20 participants will be selected for the training on first come first served basis. Interested teachers, scientists and research scholars who have basic knowledge in computer application may apply for participation in the prescribed format on or before 6th March, 2019.

Accommodation may be provided to a limited number of participants in the university guesthouse subject to availability.