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The Magic Methyl and Its Tricks in Drug Discovery and Development

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PHARMACEUTICALS
卷 16, 期 8, 页码 -

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MDPI
DOI: 10.3390/ph16081157

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methyl; methylation; methyl effect; magic methyl; methylation effect; drug design

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One key aspect of small-molecule drug discovery and development is analyzing the relationship between chemical structure and biological activity. Understanding the effects that cause significant changes in activity is crucial for designing and optimizing bioactive molecules. The methylation effect, or magic methyl effect, stands out due to numerous examples showing profound changes in pharmacodynamic or pharmacokinetic properties. This paper summarizes recent examples, providing an overview of the current state of the art and contributing to a better understanding of the methylation effect in bioactive small-molecule drug candidates.
One of the key scientific aspects of small-molecule drug discovery and development is the analysis of the relationship between its chemical structure and biological activity. Understanding the effects that lead to significant changes in biological activity is of paramount importance for the rational design and optimization of bioactive molecules. The methylation effect, or the magic methyl effect, is a factor that stands out due to the number of examples that demonstrate profound changes in either pharmacodynamic or pharmacokinetic properties. In many cases, this has been carried out rationally, but in others it has been the product of serendipitous observations. This paper summarizes recent examples that provide an overview of the current state of the art and contribute to a better understanding of the methylation effect in bioactive small-molecule drug candidates.

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