Medicinal Chemistry

Medicinal Chemistry

Hit compounds discovery/optimization

The journey to new drug discovery begins with the identification of lead compounds (hit), which are compounds with initial activity against a specific target or action mechanism. The goal of the optimization step from hit to lead compounds is to enhance the properties of the compounds to produce stronger activity, higher selectivity, and suitable pharmacokinetic properties, bringing the compound to a level suitable for in vivo animal efficacy research.The typical optimization from hit compounds to lead compounds primarily involves establishing the activity and selectivity of each compound, with extensive Structure-Activity Relationship (SAR) research around the core skeleton of the compound. PharmaResources has a range of capabilities to support compound design and SAR.

Approaches to discover hit compounds:

  • High throughput virtual screening
  • Compound screening library
  • Fragment screening
  • Medicinal Chemistry knowledge-based design
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