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The Most Common Functional Groups in Bioactive Molecules and How Their Popularity Has Evolved over Time.
Peter Ertl1, Eva Altmann1, Jeffrey M McKenna2
1Global Discovery Chemistry, Novartis Institutes for BioMedical Research, Basel CH-4056, Switzerland.
Functional groups (FGs) are key in medicinal chemistry. Their usage patterns in drug discovery over 40 years show clear trends influenced by synthetic methods and molecular property knowledge.
Area of Science:
- Medicinal Chemistry
- Organic Chemistry
- Drug Discovery
Background:
- Functional groups (FGs) are fundamental to understanding molecular reactivity and properties in medicinal chemistry.
- The historical development and application of FGs significantly impact drug design and development.
Purpose of the Study:
- To analyze the prevalence and evolution of various functional groups in medicinal chemistry literature over the past 40 years.
- To identify and discuss the driving factors behind the changing popularity of specific functional groups.
Main Methods:
- Bibliometric analysis of medicinal chemistry literature from the last four decades.
- Trend analysis of functional group occurrence and utilization.
- Discussion of factors influencing functional group selection in drug discovery.
Main Results:
- The utilization of functional groups in medicinal chemistry has not been random, exhibiting distinct temporal patterns.
- The introduction of new synthetic methodologies and advancements in understanding molecular properties correlate with shifts in FG popularity.
- Specific functional groups have seen increased or decreased prominence over time, reflecting evolving research strategies.
Conclusions:
- The evolution of functional group usage provides insights into the historical progression of medicinal chemistry and drug discovery.
- Understanding these patterns is crucial for predicting future trends and optimizing the selection of functional groups in new drug candidates.
- The interplay between synthetic innovation, property knowledge, and FG application shapes the landscape of modern drug discovery.
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