Workshop – "In-silico Drug Discovery Based on the Integration of Bioinformatics and Chemoinformatics"

The Workshop

Drug discovery is an expensive and time taking process and therefore new approaches based on chemoinformatics and bioinformatics are being adopted.The knowledge of the 3D structures of protein targets is now playing a major role at all stages of drug discovery. The distinct nature of biological and chemical information requires the integrated capabilities of both bioinformatics and chemo-informatics to decipher existing and hidden relationships. Bioinformatics and chemo-informatics have largely evolved independently from biology and chemistry. Cheminformatics is an inter-disciplinary subject of storage, processing and retrieval of chemical information. Bioinformatics and chemoinformatics have significantly assisted in lead optimization, fingerprinting, pharmacophore designing, target identification, QSAR and their application can lead to discovery of new molecules. Molecular modeling using 3D graphics and optimization techniques helps the scientists to understand how drugs bind to proteins in the body. Classically, protein structure has been exploited in lead optimization, a process that uses structure to guide the chemical modification of a lead molecule to give an optimized fit in terms of shape, hydrogen bonds and other non-covalent interactions with the target. Protein structure can also be used in target identification and selection.
Any homologue of identified known structure can be modeled using a variety of comparative modeling procedures. Lead modification is used for modification in order to improve desired pharmacological properties. A small part of a lead compound may be involved in the appropriate interaction. The relevant groups on a molecule that interact with receptor and are responsible for activity are collectively known as pharmacophore.
The workshop aims:
  1. To familiarize the researchers and students with applications of bioinformatics and chemoinformatics in drug discovery.
  2. To familiarize participants with current advances in the macromolecule structure prediction, including protein structure, protein folding, molecular dynamics and simulation.
  3. To acquaint participants with in- silico chemical and structural fingerprinting, designing and preparation of lead molecules for drug designing and various tools and techniques to bioinformatics and chemoinformatics.

The participants of the workshop will be accessing online resources of macromolecule libraries, sketching chemical compounds and building 3-D molecules, drug designing. They would also learn about prediction and analysis of various properties of compounds, bimolecular and structure prediction and visualization and analysis. The practical knowledge gained through this workshop will help them in enhancing their skills in utilizing tools for their application in basic and industrial research and employment potential.
Workshop Contents
The workshop will consist of lectures, group discussions, case studies, exchange & sharing of experience on :
  • Bioinformatics and its application
  • Biological Databases
  • Functional Genomics and Proteomics
  • Structural Bioinformatics
  • Proteins 3-D Structure Prediction
  • Drug Designing & Case study
  • Science involved in disease target identification
  • Pocket/ Active site identification
  • Lead identification and optimization
  • In-silico generation of novel ligand molecules
  • Target ligand docking
  • 3-D Quantitative Structure Activity Relationships
  • Rational drug discovery
  • RNA Interference
Who should attend?
Scientists / Research fellows (National Laboratories & Universities) and Graduate / Post graduate students in Engineering / Biological / Chemical sciences/ Medical discipline.
February 23 – 25, 2011
Biotech Park,
Sector-G, Jankipuram,
Near Biotech Square, Kursi Road,
Lucknow-226021, (U.P.), India.
Number of Participants
Registration Fee
Rs 2,000/- per participant. The registration fee includes lectures/presentation handouts, stationary, local transportation, lunch and tea. Fee is to be paid through bank draft drawn in favour of “CEO, Biotech Park, Lucknow”, Completed registration form along with the fee should reach, CEO, Biotech Park on or before February 21, 2011.

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