Another approach to improve productivity of drug discovery programs is “fragment-based” drug design (FBDD). At the root of this strategy is the observation that “lead” compounds are not always as “drug-like” as the final FDA-approved drug that they precede. Specifically, as initial hits are being optimized, they tend to lead to compounds of higher molecular weight and higher lipophilicity.
At ChemDiv, we can assist you in the rational selection and design of scaffolds and the synthesis of some small series (5-10 molecules) of lead-like fragments around them. The main principle of scaffold selection consists in the use of a knowledge database of known target (GPCR, ion-channel, enzyme, etc.) ligands as the prototypes. The single lead compound is a source for the generation of several fragment series.