Estrogenic Effect of (Linn) Extract in Mice Uterus and In Silico Molecular Docking Studies of Certain Compounds with Human Estrogen Receptors.

BACKGROUND

Linn. is reported to be used by women of Assam and Arunachal Pradesh in northeast India for treating menstrual disorders. contains compounds that bind with estrogen receptors (ERα and ERβ) evidenced by increased PCNA in endometrial epithelium.

METHODS

Crude extract was orally administered at the dose of 500 body weight/day to the female mice (60-70 days old) in five different groups. Each group containing six females included: (I) cyclic control, (II) cyclic extract treated, (III) Ovariectomized (OVX)-vehicle treated (Control), (IV) OVX-E2 treated (V) OVX- extract treated. Extract was administered for eight days to the cyclic groups and three days to the OVX groups. PCNA was detected immunohistochemically in uterine tissues and signals were analyzed by Image J software (NIH, USA). Compounds were separated by GC-MS and identified using NIST. In silico molecular docking studies was performed with human estrogen receptors (ERα and ERβ). Molecular dynamics (MD) simulations of the best interacting compound was done using gromacs.

RESULTS

The results showed cell proliferation in the uterine endometrium evidenced by PCNA. Two phytocompounds, Octadecanoic acid and methyl stearate showed binding affinity with ERα and ERβ.

CONCLUSION

contains compounds having binding affinity with ERα and ERβ. The present study is the first report on compounds from showing binding affinity with human estrogen receptors which may have biological effect on female reproduction.