Article ID Journal Published Year Pages File Type
5394347 Computational and Theoretical Chemistry 2013 7 Pages PDF
Abstract
► We examine the interactions of acetaminophen-like molecules with aryl sulfotransferase. ► Competition for the active site of sulfotransferase may increase the toxicity of acetaminophen. ► MP2 was used to calculate the interactions between the ligands and the enzyme. ► Results agree with previous experimental results.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
MP2//DFT calculations of interaction energies between acetaminophen and acetaminophen analogues and the aryl sulfotransferase active site
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