Computer Aided Drug Design ( CADD )

The processes of designing a new drug by using bioinformatics implements have opened a new area of drug research and development. Computational techniques assist us in searching drug target and in designing drug. Bioinformatics affects a new drug design in the following drug design path.

By using computational methods and the 3D structural information of the protein target, we are now able to scrutinise the detailed underlying molecular and atomic interactions involved in ligand:protein interactions and thus interpret experimental results in detail. The use of computers in drug discovery bears the additional advantage of delivering new drug candidates more rapidly and cost-efficiently. Computer-aided drug discovery has recently had important successes: new ligands have been predicted along with their receptor-bound structures and in several circumstances the achieved hit rates (ligands discovered per molecules tested) have been significantly greater than through experimental high-throughput screening. Strategies for CADD vary depending on the extent of structural and other information available regarding the target (enzyme/receptor) and the ligands.

  • Steps involved in CADD
  • Bioinformatics in CADD
  • Drug Design Software
  • Homology Modeling

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