Shopping Cart (0)
My Account

Shopping Cart
3 for 2 Offer SELECTBIO Conferences Emerging Technologies for Diagnostics & Liquid Biopsies - New Orleans 2024Lab-on-a-Chip, Microfluidics, & Organ-on-a-Chip Asia 2024Flow Chemistry Asia 2024Organoids, Spheroids & Organs-on-Chips 2024Innovations in Flow Cytometry & Extracellular Vesicles 2024ePoster Award Prize

Drug Discovery Technology : Insights of Structure based Drug Designing

Held in conjunction with Drug Discovery India 2014

13 Sep 2014, at 9.00 am in Mumbai


Design of a novel drug is one of the biggest challenges faced by the pharmaceutical industry. The use of computers accelerates the process of drug design which is a time intensive process, and also reduces the cost of whole process. Making a drug is more like designing an adaptable key for a dynamic lock. Computational methods are used in various forms of drug discovery like virtual screening and structure-based drug designing technique. Structure based drug design is gaining importance due to rapid growth in structural data available in RCSB, etc. This structural data can be used in molecular modeling to design lead molecules based on the structural features of the active site. With the challenges that are faced by the drug industry today, drug development teams require a specific combination of skills to ensure they stay abreast of scientific advancements and are at the forefront of the market.

The workshop is best suited for
Students: B.Sc./M.Sc./B.Tech./M.Tech./B.Pharm/M.Pharm. Students of Micro Biology, Bio Chemistry, Biotechnology, Pharmacy, Pharmaceutical Chemistry, Biomedical Technology, Environmental Science, Bio-Science, Genetics, Bioinformatics, Plant Science and Life Sciences.
Professionals: From companies, research institutes and faculty from colleges and institutes.


  • Introduction of Drug Designing
  • Case Study
  • Science involved in disease target identification
  • Virtual Screening
  • In-silico generation of ligands by ChemSketch
  • Conversion of Mol files to Pdb files by Open Babel
  • Protein optimization & Energy Minimization by SPDV
  • 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 and Lipinski's Rule of 5
  • Look for H-bond Between ligand and active site of the residue of protein by UCSF Chimera
  • Online software for prediction of Molecular Properties
  • Online software for prediction of Bioactivity
  • Online software for Drug Likeness
  • Online software for Bioavailability & ADME
  • Online software for Toxicity
  • Solve queries and Doubts

Asif Naqvi

Asif Naqvi, CEO & Founder, BioDiscovery Group Life Sciences