Physicochemical and topological correlates of the enzymatic acetyltransfer reaction.
The relative potencies of a series of substituted anilines as acetyl acceptors in the enzymatic N-acetylation reaction have been correlated using physiochemical substituent constants (pi, sigma-), molecular connectivity indices (1 chi, 1 chi v), 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.
D000123:Acetyltransferases / Q000378:metabolism*; D000814:Aniline Compounds / Q000378:metabolism; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D004583:Electrons; D008956:Models, Chemical; D008968:Molecular Conformation; D013329:Structure-Activity Relationship
D000814:Aniline Compounds; D000123:Acetyltransferases