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Friday, August 10, 2012

India: 2 Days Workshop on Drug Discovery Technology at IIT Guwahati

2 Days Workshop on Drug Discovery Technology at IIT Guwahati
At Techniche 2012, the Annual Techno-Management Festival of Indian Institute of Technology, Guwahati BioDiscovery-Solutions for future will host 2 days workshop on Drug Discovery Technology.

This two day, hands-on training course will focus on the use of cheminformatics approach and machine-learning software for de novo design of new molecules which can be drugs and have good target potency. Work will be carried out on different molecules and a protein on different software, so to make learn and understan
d each step of the technology practically.

Fee- 1000 INR

The topics which will be covered in 2 days span of time include:
• Introduction of Drug Designing
• Color of elements
• Case Study
• Science involved in disease target identification
• Virtual Screening

Apart from above elementary topics the training & practical application will be given for following topics:
• In-silico generation of ligands
• Protein optimization & energy minimization
• Molecular Docking
• Creation of Grid Paramater & Dock Parameter files.
• Running the Docking Algorithm
• Selection of potent inhibitors on the basis of binding energies and Lipinski’s Rule of 5
• Look for H-bond between ligand and active site of the residue of protein.
• Analysis and Evaluation

In last, Discussion on the results and interpretation of it and how we can carry further the findings/discovery to next level--Clinical Trials.

Practical application is done on 5-10 molecules and the software on which training will be given:
• ChemSketch- Drawing the molecules- In-silico generation of ligands.
• Open Babel- Conversion of one file format to other.
• SPDV- Protein optimization & energy minimization.
• MGL Tools- Lamarckian Genetic Algorithm- Docking.
• Cygwin- Running the algorithm.
• UCSF Chimera- Structure Analysis. H-Bond interaction.

For registrations, visit the Techniche '12 website here-
Mr. Jatin Ahuja
Wish to see you at IIT Guwahati.