The design and development of metalloenzyme inhibitors is frought with specific challenges and opportunities. Metalloenzymes are ubiquitious, providing many opportunities to mitigate disease via their inhibition, but also raise concerns about off-target effects and poor inhibitor selectivity. In addition, when designing metalloenzyme inhibitors, understanding the interactions of the inhibitor with the active site metal ion versus other components of the binding pocket are of great importance. In this presentation, recent advances from our laboratory to address issues of inhibitor selectivity and improved inhibitor design will be discussed. Examples of inhibitor development using a fragment-based drug discovery (FBDD) approach against specific metalloenzyme targets will be provided. It is proposed that the ability to bring together tools from medicinal and bioinorganic chemistry provide an effective strategy to address several areas of medical need where metalloenzymes represent critical targets for therapeutic intervention.

Designing metalloenzyme inhibitors to be in-VINCE-able

251st National Meeting (2016)

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