nsaids

The acid dissociation constant values of some 2-(3H)-benzoxazolone derivatives were determined in buffered solutions by using the UV-Vis spectrophotometric method. These compounds have benzoxazolone core structures with arylpiperazine substituents and have been investigated for their anti-inflammatory and analgesic activities. The 2-(3H)-benzoxazolone derivatives showed acid dissociation constant values ranging from 8.26 to 9.28. The 5-chloro-2-(3H)-benzoxazolone derivatives exhibit higher acidity than the 2-(3H)-benzoxazolone derivatives. Additionally, a comparison of  5-chloro-2-(3H)-benzoxazolone derivatives showed that derivatives with halogen-containing R2 groups exhibited higher acidity. The findings of this study also suggest that UV–Vis spectrophotometry is one of the most effective techniques for measuring acid dissociation constant values.

In this work, a novel series of mefenamic acid analogs were developed and synthesized with the goal of developing a lead chemical that has anti-inflammatory efficacy and avoids the adverse effects of NSAIDs. Molecular docking analysis was performed by recruiting the ligands, COX-1 and COX-2 to identify the best-fitted molecule using AutoDock software. Afterwards, the compounds were synthesized and analyzed. To assess the drug's efficacy, the compounds were subjected to in vivo analgesic and anti-inflammatory experiments. Most of synthesized ligands have greater binding free energy than mefenamic acid on COX-1. When compared to the positive control, the compounds 2-(2,3-dimethylphenylamino)-N-(2-(3,5-di-tert-butyl-4-hydroxyphenyl)-4-oxothiazolidin-3-yl) benzamide, 2-(2,3-dimethylphenylamino)-N-(2-(4-fluorophenyl)-4-oxothiazolidin-3-yl)benzamide, 2-(2, 3-dimethylphenylamino)-N-(4-oxo-2-p-tolylthiazolidin-3-yl) benzamide and 2-(2,3-dimethylphenylamino)-N-(2-(4-chlorophenyl)-4-oxothiazolidin-3-yl) benzamide, 2-(2,3-dimethylphenylamino)-N-(2-(4-nitrophenyl)-4-oxothiazolidin-3-yl)benzamide demonstrated a larger or comparable proportion of analgesic and anti-inflammatory action respectively. Furthermore, the selected compounds “2-(2,3-dimethylphenylamino)-N-(2-(3,5-di-tert-butyl-4-hydroxyphenyl)-4-oxothiazolidin-3-yl) benzamide”, and “2-(2,3-dimethylphenylamino)-N-(4-oxo-2-p-tolylthiazolidin-3-yl) benzamide” seemed to have the least ulcerogenic activity. These findings show that some of the newly created mefenamic acid analogs may be selected as lead compounds due to their significant biological properties without ulcerogenic activity.

Nonsteroidal anti-inflammatories (NSAIDs), are very effective agents in relieving mild to moderate pain and inflammation by inhibiting two isoforms of prostaglandin G-H synthetase (I and II). In the present work, anthranilic acid derivatives' electronic and physicochemical properties are reported utilizing quantum chemical calculations that use the density functional theory (DFT), which forecast physicochemical properties. To clarify the type of chemical composition, drug-likeness, and cyclooxygenase inhibitor, ADME and molecular docking were used. The molecule was highly electrophilic and relatively stable from a quantum chemical computation perspective. The contour maps of HOMO-LUMO and molecule electrostatic potential were examined to display the charge density distributions that might be related to the biological activity.