Journal of Reproduction & Infertility

Journal of Reproduction & Infertility

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

Authors
Khamhee Wangsa 1
Indira Sarma 1
Purbajyoti Saikia 1
Dhanabalan Ananthakrishnan 2
Hirendra Sarma 1
Devadasan Velmurugan 2
1 Department of Zoology, Rajiv Gandhi University, Rono Hills, Itanagar, Arunachal Pradesh, India
2 Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai, India
10.18502/jri.v21i4.4329
Abstract
Background: Scoparia dulcis Linn. is reported to be used by women of Assam and Arunachal Pradesh in northeast India for treating menstrual disorders. Scoparia dulcis 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 mg/kg 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 tiss ues 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: Scoparia dulcis contains compounds having binding affinity with ERα and ERβ. The present study is the first report on compounds from Scoparia dulcis showing binding affinity with human estrogen receptors which may have biological effect on female reproduction.
Keywords
Scoparia dulcis (Linn)
Endometrium
estrogen receptors
In Silico
Menstrual disorders
Molecular docking
Phytoestrogen
Journal of Reproduction & Infertility
Volume 21, Issue 4
Autumn 2020
Pages 247-258