Spasmolytic Activity, Anti-Inflammatory Potential, and Molecular Docking Studies of Anthranilic Acid Hybrids

Anthranilic acid and its analogs have an impressive biological profile; its structural nucleus has been thoroughly studied for the development of pharmaceuticals. Due to the predicted in silico methods spasmolytic activity, we synthesized a hybrid molecule of anthranilic acid and substituted 2-phenylethylamines. Phenylethylamines are serotonin agonists and are building blocks of isoquinoline alkaloids. Therefore, the synthesis of a new hybrid molecule of anthranilic acid and substituted 2-phenylethylamines, is extremely interesting in view of what properties the newly obtained molecule would inherit from both fragments. The current study has shifted towards the synthesis of novel hybrids as spasmolytic and anti-inflammatory agents. DFT calculations and docking simulations were performed on the synthesized compounds. The obtained results from all the experiments demonstrate that the hybrid molecule and its diamides inherit spasmolytic, antimicrobial, and anti-inflammatory capabilities, making them excellent candidates for future medications. Based on the experimental data, we can conclude that a collection of Novel 2-phenylethylamine hybrids were successfully synthesized and they can be considered as antispasmodics and anti-inflammatory drug candidates – alternatives to current therapeutics.