Screening of Annona muricata for E. coli enoyl acyl carrier protein reductase inhibitors by molecular docking

Chemical compounds isolated from plant sources are most common natural products that exhibit a broad spectrum of antibacterial activity. In order to decipher antibacterial activity of A.nuricata compounds and growth inhibitors, molecular docking work was carried out to identify active compounds against NADH-dependent E.coli enoyl-ACPreductase which is involved in mycolicacid biosynthesis. Annona muricata leaves are traditionally used for insecticidal and antimicrobial applications. The target enzyme was downloaded from the protein data bank. PUBCHEM provided the 3D structures of A.muricata compounds namely coreximine, annonamuricatin B, annonamuricin A,B, annonacin, corrossolone, murisolin, syepharine, and coclaurine. Docking results also revealed that coreximine, syepharine, and coclaurine were found to interact with enzyme and inhibit the active site. This study provides important clues to understanding antibacterial compounds of A.muricata and the results obtained will be useful in predicting natural products.