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

21 Scopus citations

Abstract

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
Volume72
Issue number8
DOIs
StatePublished - Aug 1983

Keywords

  • 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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