Molecular Docking Studies of Flavonoids of Noni Fruit (Morinda citrifolia L) to Peroxisome Proliferator-Activated Receptor - Gamma (PPARγ)

Fikry Awaluddin,1 Andrianopsyah Mas Jaya Putra,2 Supandi3

1School of Pharmacy, State Islamic University Syarif Hidayatullah, Tangerang Selatan 15412, Indonesia2Indonesian Institute of Sciences, PUSPITEK Serpong, Tangerang 15314, Indonesia

3Faculty of Pharmacy, University of Muhammadiyah Prof.DR.Hamka, Jalan Limau II, Jakarta 12130, IndonesiaEmail: supandi_19@yahoo.co.id

Diabetes is a chronic disease that occurs either when the pancreas does not produce enough insulin or when the body cannot effectively use the insulin it produces[1]. Morinda citrifolia has been used by many people as the prevention and treatment of diabetes as well as health supplements[2]. It contains flavonoids which can act as an antidiabetic agent[3] . One of the receptors that play a role in the treatment of diabetes is peroxisome proliferator-activated receptor - gamma (PPARγ) which responsible for insulin sensitization in adipose tissue[4].

In this study, the interaction beetween flavonoids in noni fruit (Fig. 1) as ligands, and PPARγ is investigated by using the Autodock Vina software, which is a program that allows docking of molecular ligand to receptor macromolecules. In this perspective, flavonoids such as quercetin, kaempferol, nicotifloroside, narcissoside, and rutin were selected. Rosiglitazone, a known ligand for PPARγ was used as the standard. The result revealed that all the selected flavonoids showed binding energy ranging between -8,1 kcal/mol to -8,5 kcal/mol while compared with the standard (-8.9 kcal/mol). However, when compared with rosiglitazone, the value of the binding energy of flavonoids was smaller, but approach rosiglitazone. This suggests that the flavonoid compounds have potential as antidiabetic agent.

References[1] WHO. (2013, October). Diabetes. Retrieved from WHO: http://www.who.int/mediacentre/factsheets/fs312/en/[2] Singh, D. R. (2012). Morinda citrifolia L. (Noni): A review of the scientific validation for its nutritional and

therapeutic properties. Journal of Diabetes and Endocrinology Vol. 3.[3] Pawlus, A. D., & Kinghorn, A. D. (2007). Review of the ethnobotany, chemistry, biological activity and safety

of the botanical dietary supplement Morinda citrifolia (noni). Journal of Pharmacy and Pharmacology.[4] Spiegelman, B.M. (1998). PPAR-γ: Adipogenic Regulator and Thiazolidinedione Receptor. Diabetes, vol. 47.

Narcissoside NicotiflorosideKaempferol

Quercetin

RutinRosiglitazone

Figure 1. Chemical structure of Rosiglitazone and Flavonoids of Noni fruit.