Workshop on

"Recent Advances in Structure-based Rational Drug Designing"

Organised By

Biotech Park, Lucknow

Sponsored By

Department of Biotechnology
Govt. of India

The Workshop

Drug discovery is a time-consuming and expensiveprocess yet new drugs are required to meet the unmet needs of several disease indications Every year a number of new chemical entities and potential targets of dieseas are being reported increasingly , but very few drugs are coming to market due to high costs involved in obtaining lead molecules and preclinical regulatory requirements.. , In silico virtual screening and computer-aided drug design have a great potential and are being become increasingly lead optimization and drug discovery.]. In this context , Structure Based Drug Designing (SBDD), based on the binding of the small molecule to the active site of particular biological target assumes significance.. The 3D structures of macromolecules obtained through traditional methods serve as the biological targets. In absence of a validated structure, designing of a homology model of the target molecule is possible.

SBDD is playing an an important role in drug discovery as information about the structure helps in improving the lead optimization process. SBDD has considerably assisted in lead optimization, fingerprinting, pharmacophore designing, and target identification. Molecular modeling using 3D graphics and optimization techniques helps to understand how drugs bind to proteins in the body.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. The protein structure is also useful in target identification and selection.

The workshop aims:

1. To familiarize the researchers and students with applications of bioinformatics in in silico drug designing.
2. To expose participants with the currents approaches of rational drug designing which lead to the successful design of efficient, specific, and non-toxic small-molecules through guided practical training.
3. To familiarize students with Pocket / Active site identification, in silico target molecule properties evaluation.
4. To acquaint participants with in silico chemical and structural fingerprinting, designing and preparation of lead molecules for drug designing and various tools and techniques of bioinformatics.

Objectives

The participants of the workshop will be accessing online resources of macromolecule libraries, sketching chemical compounds and building 3-D molecules, molecular docking. They would also learn about prediction and analysis of various properties of compounds, bimolecular and structure prediction and visualization and their interaction 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.

Topics to be covered

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
  

Who should attend?

Scientists / Research fellows (National Laboratories & Universities) and Graduate / Post graduate students in Engineering / Biological / Chemical sciences/ Medical discipline.

Duration

October 12 – 14, 2011

Venue