The simple answer to what's holding the industry back in terms of adoption of latest drug discovery techniques is Education. There simply aren't enough individuals trained on the use of Proteomics, Virtual Screening, Molecular Docking, Simulations, Dynamics and ADMET- multidisciplinary approaches, which is why we continue to offer courses, for both

novice and experienced users, on the use of this technology as it applies to their research functions.

Structure-based drug design seeks to identify and optimize specific attractive interactions between two partner molecules in biological systems between ligands and their host molecules, typically proteins. The use of computers accelerates the process of drug design which is a time intensive process, and also reduces the cost of whole process.

This 1 day training course will focus on the use of efficient technologies used in the discovery & designing of Drugs on the basis of the biological targets critical to the disease condition. During this course, you will be introduced to basic principles of Rational Drug Design along with Proteomics in Drug Discovery. The course includes hands-on exercises in the Structure based drug design approach.


  • Introduction of Drug Designing
  • Science involved in disease target identification
  • Virtual screening

Practical application will be done on 5-10 molecules and the software on which DEMONSTRATION & TRAINING will be given

  • In-silico generation of ligands by ChemSketch
  • Conversion of Mol files to Pdb files by Open Babel
  • Protein optimization & Energy Minimization by SPDBV
  • Molecular Docking by MGL Tools | Creation of Grid Parameter & Dock Parameter files by AutoDock Software
  • Running the Docking Algorithm by Cygwin
  • Selection of potent inhibitors on the basis of binding energies(delta G) and Lipinski's Rule of 5
  • Creating docking complex
  • Structure Analysis- Protein & ligand complex & H-bond interaction by UCSF Chimera
  • Prediction of Molecular Properties- Molinspiration
  • Prediction of Bioactivity- Molinspiration & ACD iLabs
  • Drug Likeness- Mol Soft
  • Bioavailability, ADME & Toxicity- ACD iLabs


Workshop Only- 300 US $
In addition to Conference registration- 100 US $


Participants will

  • be able to understand the science behind the disease condition
  • Learn how to identify the biological target critical to the disease
  • Learn Molecular Editing
  • Learn docking molecules computationally.
  • Learn how to create docking complex and visualize the 3D structure which is difficult to envision in any other way.
  • Learn about the intricate atomic scale properties critical for Drug Design.
  • Learn about the standard parameters of Structure based Drug Design.


With basic knowledge in Life Science and Drug Design that would like to receive a comprehensive overview or refresher on the Drug Discovery Technology the target audience comprises:

Student: Bachelor, Masters, PhD, students as well as Faculty and Professors from Microbiology, Biochemistry, Biotechnology, Immunology, Pharmacy, Pharmaceutical Chemistry, Biomedical Technology, Genetics, Bioinformatics, Plant Science and Life Sciences.

Professionals: Biotechnology, Bioinformatics and Pharmaceutical scientists from industry, academia and regulatory agencies.

Hands-on exercises will be performed individually using software tools (no prior experience required).


Workshop Material
Lunch & Refreshment

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