Bioinformatics Hub

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Chapter: Medicinal Chemistry : Computer-Aided Drug Design

Bioinformatics can be thought of as a central hub that unites several disciplines and methodologies.


BIOINFORMATICS HUB

Bioinformatics can be thought of as a central hub that unites several disciplines and methodologies.

On the support side of the hub, computational resources and other software technologies like information technology, information management, and databases, provide the infrastructure for bioinformatics.


On the scientific side of the hub, bioinformatic methods are used extensively in molecular biology, genomics, proteomics, and in CADD research.

Bioinformatics supports CADD research in the following aspects:

  • Virtual high-throughput screening

  • Sequence analysis

  • Homology modelling

  • Similarity searches

  • Drug lead optimization

  • Physicochemical modelling

  • Drug bioavailability and bioactivity


Advantages of CADD

CADD methods and bioinformatics tools offer significant benefits for drug discovery programs.

Cost saving: The cost of drug discovery and development has reached $800 million for a single drug to be successfully brought into the market. Recently, many pharmaceutical industry are focussing the CADD to reduce this cost burden.

Time-to-market: The predictive power of CADD can reduce the time period for drug development and optimization and avoids potential ‘dead-end’ compound on final stage. It can get drugs to the market more quickly and cost effectively.

Insight: The molecular graphics technique of CADD gives information about drug-receptor interaction and atomic scale binding properties to particular ligand or protein. It may give new ideas for researcher to modify the drug compounds for improved fit. Therefore, CADD and bioinformatics together are a powerful combination in drug research and development.


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