1) Obtain X-ray crystal structures of target•inhibitor complexes (structural biology) to inform on structure-guided synthesis of new analogs. The availability of structural information can greatly aid the design of new analogs with improved potency. With a co-crystal structure of a hit bound to the molecular target, it is possible to identify region of the hit that could accomodate a functional group that would improve solubility without interfering with the interactions that contribute to compound binding affinity for the target. Or areas where metabolism-blocking groups can be introduced without affecting binding can be identified.
2) Provide advice and/or service regarding the formulation and evaluation of in vivo compound bioavailability (pharmacokinetics studies) to facilitate in vivo efficacy studies.