Metabolism of ketoprofen-a molecular modelling analysis was written by Huq, Fazlul. And the article was included in International Journal of Pure & Applied Chemistry in 2007.Formula: C16H16O3 This article mentions the following:
Ketoprofen (KP) is a non-steroidal anti-inflammatory drug (NSAID) that is widely used in humans and veterinary medicine in the treatment of acute and chronic rheumatoid arthritis and various painful conditions. Increasing evidence suggests that reactive oxygen species (ROS) may contribute significantly to the development if intestinal lesions due to KP as are true with many other NSAIDs. Mol. modeling analyses based on mol. mechanics, semi-empirical (PM3) and DFT (at B3LYP/6-31G* level) calculations show that mol. surfaces of KP and its metabolites abound in neutral green and have electron-rich red and yellow regions so that they may be subject to lyophilic and electrophilic attacks. The mol. surfaces of KP and its metabolites are also found to possess some electron-deficient blue regions so that the compounds may be subject to nucleophilic attacks such as those due to glutathione and nucleobases in DNA resulting into glutathione depletion and oxidation of nucleobases. The depletion of glutathione produces oxidative stress as it compromises the antioxidant status of the cell whereas oxidation of nucleobases causes DNA damage. The oxidative stress in turn may cause lipid peroxidation and damage to other biomols. including proteins, enzymes and also DNA. In the experiment, the researchers used many compounds, for example, 2-(3-(Hydroxy(phenyl)methyl)phenyl)propanoic acid (cas: 59960-32-6Formula: C16H16O3).
2-(3-(Hydroxy(phenyl)methyl)phenyl)propanoic acid (cas: 59960-32-6) belongs to alcohols. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Formula: C16H16O3
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts