DISCOVERY OF NEW DRUGS AND COMPUTATIONAL STUDIES OF COUMARIN- CARPROFEN SCAFFOLDS AS A NOVEL CLASS OF ANTI-TUBERCULAR, ANTI-INFLAMMATORY AND ANTI-BACTERIAL AGENTS

Shivarudrappa H. Pattanashetty, Kallappa M. Hosamani*, Praveen Satapute, Shrinivas D. Joshi and Kotresh Obelannavar 

ABSTRACT

Carprofen and coumarins are biologically promising potent heterocyclic compounds as they posses very good anti-tubercular, antimicrobial, anti-inflammatory and anticancer activities. In the present study, the condensation of substituted 4-bromomethyl coumarin and carprofen in the presence of anhydrous potassium carbonate gives exclusively coumarim-carprofen hybrids (3a-3i). Anti-tubercular assays against M. tuberculosis (H37Rv) coupled with in silico molecular docking studies indicated that dimethyl substituents (3a), (3f) and (3g) showed promising activity with higher C-score values. The synthesized compounds were also screened for in-vitro antimicrobial and anti-inflammatory. However, the compounds of (3c) and (3f) exhibit excellent in-vitro activity against M.tuberculosis (H37Rv). These results suggested that the as synthesized compounds of (3c) and (3f) own promising lead for subsequent investigation in search of new anti-tubercular agents. Accordingly, the in-vitro anti-inflammatory activity revealed that compounds of (3a), (3b), (3c) and (3i) exhibited highest prominent anti-inflammatory activity. Compounds (3a), (3b), (3f) and (3i) have shown excellent antibacterial activity.

Keywords: Coumarin-carprofen, Anti-tubercular, Molecular docking, Anti-inflammatory and Antibacterial.