The Most Common Functional Groups in Bioactive Molecules and How Their Popularity Has Evolved over Time

2020/07/14 by Peter Ertl, Eva Altmann, Jeffrey M. McKenna · 6 citations
Chemistry · #Click Chemistry and Applications #Synthesis and Biological Evaluation #Synthesis and Catalytic Reactions

paper · doi:10.1021/acs.jmedchem.0c00754

openalex publication_date 2020/07/14 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30

Abstract

The concept of functional groups (FGs), sets of connected atoms that can determine the intrinsic reactivity of the parent molecule and in part are responsible for the overall properties of the molecule, form a foundation within modern medicinal chemistry. In this Article, we analyze the occurrence of various FGs in molecules described in the medicinal chemistry literature over the last 40 years and show how their development and utilization over time has varied. The popularity of various FGs has not evolved randomly, but instead, clear patterns of use are evident. Various factors influencing these patterns, including the introduction of new synthetic methods, novel techniques, and strategies applied in drug discovery and the better knowledge of molecular properties affecting the success of candidate development, are discussed.

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