Predicting Binding Between Main Molecules of Iranian Oliveria decumbens and DPP-4  Enzyme Using Molecular Docking: doi.org/10.26538/tjnpr/v2i2.9

Salim Bouchentouf; Ebrahim Talebi

Authors

Salim Bouchentouf Faculty of Technology, Doctor Tahar Moulay University of Saïda, Algeria
Ebrahim Talebi Darab Branch, Islamic Azad University, Darab, Fars, Iran.

Keywords:

Medicinal plant,, Oliveria decumbes,, DPP-4 enzyme,, Molecular docking

Abstract

Type 2 Diabetes (T2D) is an endocrine disease affecting millions of humans around the world, causing many damages to human health. Many drugs are used for the treatment of T2D, but they have many secondary effects. Natural products, especially from plants, can be sources of important bioactive molecules which can serve as an alternative to T2D treatment. Constituent molecules of essential oil from Iranian Oliveria decumbens were investigated for their capacity to inhibit Dipeptidyl-Peptidase 4 (DPP-4) enzyme which has been implicated in type 2 diabetes. Formation of stable complexes between enzyme and ligands was carried out using molecular docking. The energy of the complexes formed was also calculated. The compounds with the lowest energy were predicted to have the best binding. The results obtained predicted myristicin to be the best binder of DPP-4 enzyme.

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