title: Design and evaluation of 4-aminophenol and salicylate derivatives as free-radical scavenger.
abstract: This theoretical and experimental study describes the design and evaluation of the free-radical scavenging effect for the molecular association of 4-aminophenol and salicylate derivatives. For this purpose, we employed theoretical methods for the selection of antioxidant drugs and the rapid methods of evaluation: the 1,1-diphenyl-2-picrylhydrazyl radical and the thiobarbituric acid reactive substances in the lipid peroxidation initiated by Fe(2+)  and ascorbic acid in human erythrocytes. The associate derivatives exhibited a more potent inhibition than the salicylic acid, while the benzoyl compound exhibited a more potent inhibition than paracetamol. The molecular parameters related to the electron distribution and structure (ionization potential and energy of the highest occupied molecular orbital) correlated very well with the antioxidant action of the compounds studied here in different tests.
authors: Núcleo de Estudos e Seleção de Biomoléculas da Amazônia, Instituto de Ciências da Saúde, Universidade Federal do Pará, 66075-110 Belém, PA, Brasil. lqfmed@gmail.com
authors: Rosivaldo S
authors: RS
authors: Borges
authors: Glaécia A N
authors: GA
authors: Pereira
authors: Joyce K L
authors: JK
authors: Vale
authors: Luiz C S
authors: LC
authors: França
authors: Marta C
authors: MC
authors: Monteiro
authors: Cláudio N
authors: CN
authors: Alves
authors: Albérico B F
authors: AB
authors: da Silva
mesh_terms: D000627:Aminophenols / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D017076:Computer-Aided Design; D015195:Drug Design; D004353:Drug Evaluation, Preclinical; D004912:Erythrocytes / Q000187:drug effects / Q000378:metabolism; D016166:Free Radical Scavengers / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D015227:Lipid Peroxidation / Q000187:drug effects; D011789:Quantum Theory; D012459:Salicylates / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D013329:Structure-Activity Relationship
chemical_list: D000627:Aminophenols; D016166:Free Radical Scavengers; D012459:Salicylates; C026729:4-aminophenol