Analysis of the Structural Transformations Underlying the Design of Innovative Next-in-Class Drugs

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Most of modern innovative drug compounds are not the new molecular structures, but modified analogs of already known structures. The most successful chemotypes have been in operation for decades, while the structural transformations used in the design of analogues in many cases make it possible to obtain improved versions of precursor compounds. This paper analyzes innovative drug developments approved by leading national regulatory agencies. Both individual transformations in medicinal compounds approved in 2022–2023 and anthologies of a number of popular structural series of medicinal analogues are considered, and approaches to their medical and chemical design are analyzed.