Physicochemical and topological correlates of the enzymatic acetyltransfer reaction

Subhash C Basak, D. P. Gieschen, D. K. Harriss, V. R. Magnuson

Research output: Contribution to journalArticlepeer-review

22 Scopus citations


The relative potencies of a series of substituted anilines as acetyl acceptors in the enzymatic N‐acetylation reaction have been correlated using physicochemical substituent constants (π, σ), molecular connectivity indices (1χ, 1χv), and newly formulated information–theoretic topological indices (IC, SIC). Results indicate a predominant role of the topological steric parameters in determining the rates of the N‐acetyltransferase reaction.

Original languageEnglish (US)
Pages (from-to)934-937
Number of pages4
JournalJournal of Pharmaceutical Sciences
Issue number8
StatePublished - Aug 1983

Bibliographical note

Funding Information:
This work was supported in part by Grant GM22357 and Biomedical Research Support Grant RR 5606 from the National Institutes of Health.


  • N‐Acetylation reaction—of substituted anilines, enzymatic acetyltransferase, rate determination using information–theoretic topological indices
  • Topological indices—information–theoretic, rate determination of the N‐acetylation reaction, comparison with physicochemical constants and molecular connectivity indices, substituted anilines
  • p‐Nitroaniline—determination of the N‐acetylation reaction, topological indices


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