BioDiscovery-Solutions for future will host , The International Technical and Management Fest of VIT, Vellore.
This two day, hands-on training course will focus on the use of cheminformatics approach and software for de novo design of new molecules which can be drugs and have good target potency. Apart from this several topics of Genomics will also be covered. Work will be carried out on different molecules and a prot ein on different software, so to make learn and understand each step of the technology practically.
Fee- 1300 INR
DRUG DESIGNING TOPICS:
The topics which will be covered in 2 days span of time include:
• Introduction of Drug Designing
• History of Drugs
• 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.
This two day, hands-on training course will focus on the use of cheminformatics approach and software for de novo design of new molecules which can be drugs and have good target potency. Apart from this several topics of Genomics will also be covered. Work will be carried out on different molecules and a prot ein on different software, so to make learn and understand each step of the technology practically.
Fee- 1300 INR
DRUG DESIGNING TOPICS:
The topics which will be covered in 2 days span of time include:
• Introduction of Drug Designing
• History of Drugs
• 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.
• Online software for prediction of active site/s and binding pocket/s for protein.
• SPDV- Protein optimization & energy minimization.
• MGL Tools- Lamarckian Genetic Algorithm- Docking.
• Cygwin- Running the algorithm.
• UCSF Chimera- Structure Analysis. H-Bond interaction.
GENOMICS TOPICS:
The topics which will be covered in 2 days span of time in the form of power point presentations include:
• Introduction of Genomics
• DNA Fingerprinting
• Gene Therapy
• Gene Delivery Systems
For registrations, please visit- http://www.biodiscoverygroup.
Wish to see you at VIT, Vellore.
