Identification of phytoconstituents for combating Polycystic ovarian syndrome through in silico techniques

Abstract

Polycystic ovarian syndrome is one of the leading causes for infertility in women. One in Five women of the population is affected by PCOS. The synthetic drugs currently used are targeted to provide an artificial support for the hormonal imbalance in the body which leads to various adverse effects. Natural herbs serve as a best remedy for many of the diseases as they cure the root cause and target the disease specifically. Selection of herbs is a crucial part in the formulation. In silico studies play an important role in analyzing the activity of the compound with the selected target. The herbs which had reported biological activity on uterus were selected and their vital chemical constituents were docked with the identified target of PDB ID 3RUK and 1E3K, respectively. The values obtained shows the potential effect of chemical constituent with the suitable target. Among the list of herbs selected, Sesamin from Sesamum indicum and lanosterol from Ficus religiosa had good binding affinity with both the selected proteins and had better drug likeliness properties. Hence, further studies on these compounds for targeting PCOS is expected to give potent activity and produce promising results.