Drug Discovery and Development

Drug discovery is the process whereby a drug candidate or lead compound is identified and partially validated for the treatment of a specific disease. Modern drug discovery involves the identification of screening hits, medicinal chemistry and optimization of those hits to increase the affinity, selectivity (to reduce the potential of side effects), efficacy/potency, metabolic stability (to increase the half-life), and oral bioavailability. Once a compound that fulfills all of these requirements has been identified, it will begin the process of drug development prior to clinical trials. One or more of these steps may, but not necessarily, involve computer-aided drug design. Modern drug discovery is thus usually a capital-intensive process that involves large investments by pharmaceutical industry corporations as well as national governments.

  • Quantitative Structure–Activity Relationship (QSAR)
  • Computer Aided Drug Design (CADD)
  • Virtual High Throughput Screening
  • Homology Modelling

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