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Hydroxyl radical reaction with melatonin molecule: A computational study
Author(s) -
Stasica P.,
Paneth P.,
Rosiak J.M.
Publication year - 2000
Publication title -
journal of pineal research
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.881
H-Index - 131
eISSN - 1600-079X
pISSN - 0742-3098
DOI - 10.1034/j.1600-079x.2000.290209.x
Subject(s) - melatonin , adduct , chemistry , molecule , hydroxyl radical , selectivity , photochemistry , radical , computational chemistry , biochemistry , organic chemistry , medicine , catalysis
Theoretical calculations of the HO• radical reaction with the melatonin molecule were performed. Reaction pathways with C2, C3, C4, C6 and C7 as the target carbon atoms and corresponding radical adducts were studied. Low activation energies of all adducts suggest that these reactions should occur quite easily and with rather low selectivity. C2 carbon as the most probable site of attack and C3 as the least probable one are proposed.