Target–drug interactions: first principles and their application to drug discovery

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In this review, Sara Nunez, Jennifer Venhorst and Chris G. Kruse begin by introducing the basic principles of kinetics and thermodynamics of target–drug binding within the context of drug discovery.

In addition, the authors present a meta-analysis of the recent literature describing the kinetic and thermodynamic resolution of successful clinical candidates with diverse mechanisms of action. They finish by discussing the best practices in the triage and chemical optimization towards clinical candidates with maximal in vivo efficacy devoid of adverse events.

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