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Discovery of New Anti-Tubercular Drugs by Analyzing Molecular Interactions of Target Proteins

Held in conjunction with Drug Discovery India 2017

13 Sep 2017, at 9:00 AM - 5:00PM in Bengaluru



Tuberculosis (TB) is one of the most important health concerns in the world, causing serious levels of morbidity and mortality in several countries. Unfortunately, the development of new anti-TB drugs has been very slow. Thus, it is urgently necessary to develop novel kinds of anti-tuberculosis drugs that exert their anti-Mycobacterium tuberculosis activity through unique drug targets expressed by MTB organisms [Tomioka H, Japan]

Recent advances in the knowledge of the biology of the organism and the availability of the genome sequence provide a wide range of novel targets for drug design. It is expected that the application of functional genomics tools in combination with modern approaches like structure-based drug design will lead to the development of new drugs that are not only active against drug-resistant TB but also can shorten the course of TB therapy

This 1 day training course will focus on the use of efficient technology of structure based Drug Design to make learn the approach of designing new inhibitors for MTB organisms. During this course, you will be introduced to basic principles of Rational Drug Design along with Proteomics in Drug Discovery of anti-tubercular drugs. The course includes lectures as well as hands on training on software and online servers used in this powerful technology.


  • Introduction of Drug Discovery Technology
  • Science involved in Disease Target Identification 
  • Virtual Screening

Hands-on exercises will be performed individually using software tools. No prior software experience is required. Practical application will be done on 5-7 molecules using the software on which DEMONSTRATION & TRAINING will be given. Practical training will include:

  • In-silico generation of ligands by Chem Sketch
  • 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 Algorithm- autogrid and auto dock 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

Note: All participants are required to bring their laptop for training. Certificates will be given after completion of the training course. 


Participant 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.


Scientists and Scholars with basic knowledge of Life Science and Drug Design who would like to receive a comprehensive overview or refresher on the Drug Discovery Technology.

Academics: Bachelor/Masters Students, PhD Research Scholars as Faculty from Microbiology, Biochemistry, Biotechnology, Immunology, Pharmacy, Pharmaceutical Chemistry, Biomedical Technology, Genetics, Bioinformatics and Life Sciences. 

Professionals: Research Scientists from Biotechnology, Bioinformatics, Pharmaceutical Sciences from Industry and Regulatory Agencies. 

Asif Naqvi

Asif Naqvi, CEO & Founder, BioDiscovery Group Life Sciences