Investigation of binding interactions between three active ingredients; Curcumin, γ-Terpinene, and Safranal with BMP ۱۵

Backgrounds: Bone morphogenetic protein-۱۵ (BMP-۱۵) of oocyte-secreted factors, has beenindicated to be a critical regulator of many granulosa cell processes which is progressivelyexpressed by oocytes of growing follicles throughout folliculogenesis. Moreover, the validstructure of this protein can play an important role in fertility and infertility in females. Usingdifferent drugs and active ingredients can be effective for the reproductive system. Currently,one of the methods to investigate protein binding is molecular docking. Therefore, in this study,molecular docking used for three active ingredients that are commonly utilized in somesupplements and Iranian foods were chosen; Curcumin from Turmeric, γ-Terpinene from Cumin,and Safranal from Saffron to find out how they interact with BMP۱۵.Materials and Methods: After detecting the structures of the ligands and target molecule andpreparing with relevant docking software, it was decided to use AutoDock Vina software to findout the affinity between molecules and also evaluate binding energies by software.Results: The results showed that all three active ingredients can bind to BMP۱۵ protein withsignificant and suitable binding energies but curcumin gains the most affinity score with -۹/۴(kcal/mol), then γ-Terpinene with -۷.۸ (kcal/mol) and Safranal with -۷/۲(kcal/mol) fromsoftware.Conclusion: The paper indicated that bioinformatic evaluations can support the effects ofdifferent active ingredients of medicinal plants with the oocyte factors such as (BMP-۱۵) whichhas been proven to be critical for normal fertility in female mammals.

کلیدواژه ها:

BMP ۱۵ ، Curcumin ، Safranal ، γ-Terpinen ، fertility