The Epiphyllum oxypetalum is a unique plant that belongs to a cactaceae family. Traditionally this plant mainly cures sexually transmitted diseases, liver infection, anti-viral disease. The molecular docking analysis was done against virulent bacterial and viral enzymes. The protein responsible for bacterial and viral disease were studied and retrieved from Protein Data Bank. The bioactive compounds of Epiphyllum oxypetalum were docked against Treponema pallidum, liver cirrhosis and zika virus. The result obtained with better binding interactions against Treponema pallidum was Megastigmatrienone with -5.02Kcal/mol followed by liver cirrhosis was Megastigmatrienone with -4.58Kcal/mol and against zika virus was Testerone cypionate with -7.84Kcal/mol. Thus, the molecular docking interactions shows better potential of inhibition against virulent enzymes and the bioactive compounds of Epiphyllum oxypetalum leaves which could be used as lead for treating the diseases such as Syphilis, Liver cirrhosis, Zika virus.
Key words: PDB [protein data bank], Treponema pallidum, PDHK2 [Pyruvate dehydrogenase kinase 2], Molecular docking
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