Medicinal Chemistry

Medicinal Chemistry

Hit discovery/optimization

The material preparation for the creation of a new drug begins with the discovery of hit compounds (hit), which are compounds with initial activity against a specific target or a procedure of action. The goal of the optimization step from hit to lead compounds is to optimize the properties of the compounds to produce ones with greater activity, higher selectivity, and suitable pharmacokinetic properties to a level where the compounds can be validated in in vivo animal studies. The typical optimization from hit compounds to lead compounds is by establishing the activity and selectivity of each compound, with extensive structure-activity relationship (SAR) studies focusing on the core compound scaffold. PharmaResources has a range of capabilities to support compound design and SAR.

Ways to discover hit compounds:

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