In silico Activity Analysis of Saponins and 2, 5-Piperazinedione from Marine Organism against Murine Double Minute-2 Inhibitor and Procaspase-3 Activator

    Published on:July/2018
    Journal of Young Pharmacists, 2018; 10(2s):S16-S19
    Original Article | doi:10.5530/jyp.2018.2s.4

    Arry Yanuar, Indah Pratiwi, Rezi Riadhi Syahdi*

    Faculty of Pharmacy, Universitas Indonesia, Depok 16424 West Java, INDONESIA.


    Objective: Cancer is a disease that can occur because of apoptosis failure. One of the causes of apoptosis failure is the presence of MDM2 inhibiting the activity of p53 so procaspase-3 could not be activated to caspase-3. Currently, the treatment of cancer has been applied widely, but more effective treatment always needed because cancer has been mutated. One of the treatments is the search for natural resources that come from the sea. The pursuit of the bioactive compound from marine organisms is not straightforward because it takes a long time and costly. Methods: Therefore, in silico method is used. This study conducted a docking of bioactive compounds from saponin and 2, 5-Piperazinedione as the MDM2 inhibitor and procaspase-3 activator by using Auto Dock and Vina. Results: The results showed that 18-Oxotryprostatin A and Intercedenside A were the best bioactive compounds to serve as MDM2 Inhibitor and 6-Methoxyspirotryprostatin B and Frondoside A as a procaspase-3 activator due to their low binding energy. Conclusion: Most recommended bioactive compounds are those who have low binding energy, which is 18-Oxotryprostatin A with the value of -8,6 kcal/mol and Intercedenside A with the value of -7,0 kcal/mol.

    Key words: 2,5-Piperazinedione, Activator procaspase-3, Inhibitor MDM2, Cancer, Molecular docking, Saponin.

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