Transition state theory teaches that chemically stable mimics of enzymatic transition states will bind tightly to their cognate enzymes. Kinetic isotope effects combined with computational quantum chemistry provides enzymatic transition state information with sufficient fidelity to design transition state analogues. Examples are selected from various stages of drug development to demonstrate the application of transition state theory, inhibitor design, physicochemical characterization of transition state analogues, and their progress in drug development.

中文翻译：

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酶促过渡态与药物设计

过渡态理论教导说，化学上稳定的酶促过渡态模拟物将与它们的关联酶紧密结合。动力学同位素效应与计算量子化学相结合，可提供足够的保真度来设计过渡态类似物的酶促过渡态信息。从药物开发的各个阶段中选择实例，以证明过渡态理论的应用，抑制剂设计，过渡态类似物的理化特性及其在药物开发中的进展。