Graphic Era University A Workshop on In-silico Drug Discovery and Drug Designing: A Practical Approach | 30-31 October, 2012

A Workshop on In-silico Drug Discovery and Drug Designing: A Practical Approach

30-31 October, 2012

Organized By Department of Biotechnology, Graphic Era University, Dehradun

In association with

Bio Discovery-Solution for Future

About the Workshop

Drug discovery and development is an intense, lengthy and an interdisciplinary endeavor. Today, the process of drug discovery has been revolutionized with the advent of genomics, proteomics, bioinformatics and efficient technologies like, virtual screening, in silico screening, Molecular Docking, ADMET screening and Structure-based drug design.

The workshop focuses on to make learn the technology of drug discovery from basics till the end. We all know that we learn by doing the things. Hence the workshop program is designed in such a way that training is given and then practical application of that work will be carried out simultaneously. So, participants should gain the maximum from the time which they spend.

Topics

The topics which will be covered during workshop

•Introduction of Drug Designing

• Case Study,

• Science involved in disease target identification,

• Virtual Screening.

The demonstration of practical application

•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 of software using 5-10 molecules

• 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.

Analysis and Evaluation

(* Participants are encouraged to bring their own laptop so that software can be installed)

Eligibility for workshop: Graduates /Post Graduates/ Research students/ Faculties ( Life Sciences/ Biotechnology/Chemistry/Pharmaceutical).

Duration: Two days morning and evening sessions of 4 hours each (30-31 October, 2012).

Venue: New HM Seminar Hall, GEU

Registration: A duly filled registration form (Provided separately) along with fee of:

(a) Rs. 1200/- for GEU/GEHU Students

(b) Rs. 1500/- for students of other institution

(c) Rs. 2000/- for faculties

Fee payable through DD in favor of Registrar, Graphic Era University or cash to course coordinators.

( *Seats are Limited: Please register early, Registrations are open).

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Brochure : https://sites.google.com/site/helpindiatech/Home/one%20file.pdf

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