A medicinal chemistry perspective on structure-based drug design and development.
The application of X-ray crystallography and molecular modeling can provide valuable insight into the optimization of the molecular interactions of a drug-protein complex to achieve potency and selectivity of a drug candidate. For the successful application of SBDD in a drug development program, the impact of these structural modifications required to improve potency and selectivity must be considered in the context of balancing of a multitude of drug properties and other considerations that include solubility, bioavailability, metabolism, distribution, toxicology, chemical stability, and intellectual property space. The utility of structure-based design from the medicinal chemist's perspective is described in this chapter.
NeurAxonInc, Mississauga, ON, Canada. smadda@sympatico.ca
Shawn P
SP
Maddaford
D002626:Chemistry, Pharmaceutical; D018360:Crystallography, X-Ray; D015195:Drug Design; D006801:Humans; D008958:Models, Molecular; D015394:Molecular Structure; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D011506:Proteins / Q000037:antagonists & inhibitors / Q000737:chemistry*
D004364:Pharmaceutical Preparations; D011506:Proteins