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Computational Modeling, Synthesis, and Antioxidant Potential of Novel Phenylcarbamoylbenzoic Acid Analogs in Combating Oxidative Stress
Author(s) -
Bayoumi Waleed A.,
Elsayed Magda A.,
Baraka Hany N.,
Abouzeid Laila
Publication year - 2012
Publication title -
archiv der pharmazie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.468
H-Index - 61
eISSN - 1521-4184
pISSN - 0365-6233
DOI - 10.1002/ardp.201200183
Subject(s) - antioxidant , chemistry , oxidative stress , moiety , abts , in vitro , docking (animal) , biochemistry , combinatorial chemistry , stereochemistry , dpph , medicine , nursing
A new series of phenylcarbamoylbenzoic acid analogs were designed, synthesized, and evaluated for their in vitro antioxidant activity, aiming to find a lead for the treatment of oxidative stress. The target compounds were prepared by substituting the core phenylcarbamoylbenzoic acid moiety with certain functionalities via simple and efficient synthetic strategies. A molecular modeling study was performed to evaluate the recognition of target compounds at the 3MNG binding pocket. The docking data revealed that compounds 8c and 9a selectively bind to the crucial amino acid residues in the active site of 3MNG. The in vitro antioxidant activity was determined by ABTS antioxidant assay. Compounds 8c , 9a , and 9b showed high antioxidant activity and are thus promising as potent antioxidant leads.