Identification of Human NMPrtase Inhibitors from Adenocarpus mannii; An In-Silico Approach

Adenocarpus. mannii species belongs to family Fabaceae, well represented in south west region and west region of cameroon. Since, the cytotxic results of extracts and isolated compounds of A. mannii on human colon cancer cell lines are promising, it is decided to study their in silico binding studies towards the target protein involved. The present study focuses the in-silico docking studies of four flavonoids and one triterpene isolated from Adenocarpus mannii using Discovery Studio 4.1 Client. All the compounds exhibited a good interaction within the targeted domain compared to standards drugs. The compounds Isovitixin and chrysin 7-O-β-D-glucopyranoside show good docking properties with the highest activation energy of -1.14034 kcal/mol and -1.91612 kcal/mol respectively. Their physicochemical properties are also in accepatable range. These results suggest that the identified compounds can act as potential ‘leads” to inhibit colon cancer cells.