10-camphor sulfonic acid: A simple and efficient organocatalyst to access anti-SARS-COV-2 Benzoxanthene derivatives

Abstract

10-Camphor sulfonic acid (10-CSA) has gained popularity as an organocatalyst due to its broad range of solubility and user-friendliness. Affordable multicomponent reactions (MCRs) for the preparation of benzoxanthenes (4a-4 h) (5a-5i) are presented in this work. Extensive investigations and records have been conducted on the diverse biological features exhibited by xanthenes and benzoxanthenones, such as their antiviral, antibacterial, and anti-inflammatory capabilities.Using β-naphthol, dimedone, and aldehydes, we demonstrate a cost-effective and environmentally friendly catalytic method. Under ideal circumstances, the 10-CSA catalyzes one-pot reaction, procuring impressive amounts of benzoanthenes (85–95 %). All the synthesized compounds were characterized by ¹H NMR and ¹³C NMR. A wide variety of suitable chemicals, simple work-up procedures, and solvent-free synthesis outperforms numerous existing methods for procuring biologically relevant benzoxanthene derivatives are some of the interesting features of this organocatalyzed bronsted acid process. Therefore this synthesis is industrially inevitable. Furthermore, computational studies such as molecular docking and ADMET data analysis were performed on a number of the synthesized benzoxanthene molecules. This has led to the identification of the most potent synthetic against the SARS-CoV-2 spike protein. Additionally, to mimic how medicinal compounds interact to target proteins, computational docking and dynamics techniques were used. These studies showed that, in terms of binding affinity and other crucial traits, 4a, 4b, and 5a are potential possibilities. Overall, the current study should be of great help in the development of benzoxanthene analogs which can be potential drugs for treatment of COVID-19.