Drug Discovery & Development Services

D3 Computational Images      Computational Core

Provides consultation, expertise, staff and infrastructure for virtual screening, predictive toxicology, computational modeling of lead-target interactions and design of novel candidates using a variety of state-of-the-art molecular modeling, simulation and computational techniques. In collaboration with experimentalists, the core commonly engages in hit identification via virtual screening and/or de novo drug design and hit optimization/prioritization through computational docking and predicted ADMET (absorption, distribution, metabolism, excretion and toxicity) parameters. This core operates under the directorship of Professor Chang-Guo Zhan and with current staff of one Ph.D. level computational chemist.

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D3 Synthesis Core Images           Synthesis Core

Provides consultation, expertise, staff and infrastructure for the synthesis of small molecules to facilitate the identification of novel probes/hits to advance translational research objectives. The core commonly engages in synthesis of non-commercial agents, hit/lead discovery/development chemistries, medicinal chemistry and/or the synthesis of modified of bioactive probes, drugs or natural products (e.g., using suitable reactive tags, isotopes, fluorophores) to enable target identification and/or assay development research. The core operates under the directorship of Professor David Watt with a current staff of three Ph.D. level chemists.

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D3 Translational Core Images           Translational Core

Provides consultation, expertise, staff and infrastructure for assay development/screening and first-in-animal studies to support probe/lead optimization and prioritization. Screening activities include the development and implementation of biochemical, cell-based and whole animal screens using both commercially available libraries (FDA-approved drugs, strategic mechanism-based sets, and broader chemical/functional diversity sets) and the proprietary Natural Products Repository. The core also supports probe/lead preformulation/dosing, bioanalytical assay development, metabolism, biodistribution, pharmacokinetics (PK), pharmacodynamics (PD) and basic toxicology (MTD) studies. The core operates under the co-directorship of Professors Markos Leggas and Brad Anderson with a current staff of one M.S. level and two Ph.D. level scientists. 

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Learn more about the Drug Discovery and Development Core. »

Related service: Therapeutic Advisory Panel. »


 

 

Contacts

  • Linda Dwoskin, PhD

    • Director, Drug Discovery & Development
    • ldwoskin@uky.edu
    • (859) 257-4743
  • Jon Thorson, PhD

    • Director, Drug Discovery & Development
    • jsthorson@uky.edu
    • (859) 218-0140