DOCKING STUDY OF ALLICIN WITH SULFONYLUREA RECEPTOR 1, COMPLEX 1 AND PPARÎ³ RECEPTOR ON INSULIN RESISTANCE

Muhammad Andre Reynaldi; Hafrizal Riza; Sri Luliana

doi:10.22159/ijpps.2018v10i10.28105

Authors

Muhammad Andre Reynaldi Department of Pharmaceutics, Tanjungpura University, Pontianak, Indonesia
Hafrizal Riza Department of Pharmaceutics, Tanjungpura University, Pontianak, Indonesia
Sri Luliana Department of Pharmaceutics, Tanjungpura University, Pontianak, Indonesia

DOI:

https://doi.org/10.22159/ijpps.2018v10i10.28105

Keywords:

Allicin, SUR1, Complex 1, Nil, Autodock Vina

Abstract

Objective: Allicin is a potential type 2 antidiabetic. Sulfonylurea receptor 1 (SUR1), nikotinamida adina dinukleotida dehydrogenase (Complex 1) and peroxisome proliferator-activated receptors gamma (PPARÎ³) are known as important receptors responsible in insulin resistance This study aimed to determine the physicochemical properties, and the affinity of allicin on SUR1, Complex 1 and PPARÎ³ receptors based on the binding energy and the type of interaction.

Methods: The physicochemical properties of allicin were analyzed using ChemOffice, and the binding energy and type of interaction were analyzed using the docking method with Autodock Vina.

Results: The results from the analysis showed allicin has log p (logarithmic partition) 1.35, massa relativity (mr) 162.26 g/mol, and the binding energy of allicin on SUR1, Complex 1 and PPARÎ³ are respectively-4.0;-3.0; and-4.1 kcal/mol. The type of interaction between allicin and receptors is van der waals.

Conclusion: Allicin has good permeability and has the potential to bind to SUR1, Complex 1 and PPARÎ³ receptors contributing to the activity of allicin as antidiabetic.

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