J Reprod Infert arij001 Journal of Reproduction & Infertility 2228-5482 2251-676X Avicenna Research Institute jri120087 Estrogenic Effect of Scoparia dulcis (Linn) Extract in Mice Uterus and In Silico Molecular Docking Studies of Certain Compounds with Human Estrogen Receptors WangsaKhamheeDepartment of Zoology, Rajiv Gandhi University, Rono Hills, Itanagar, Arunachal Pradesh, IndiaSarmaIndiraDepartment of Zoology, Rajiv Gandhi University, Rono Hills, Itanagar, Arunachal Pradesh, IndiaSaikiaPurbajyotiDepartment of Zoology, Rajiv Gandhi University, Rono Hills, Itanagar, Arunachal Pradesh, IndiaAnanthakrishnanDhanabalanCentre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai, IndiaSarmaHirendraDepartment of Zoology, Rajiv Gandhi University, Rono Hills, Itanagar, Arunachal Pradesh, IndiaVelmuruganDevadasanCentre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai, India 21 4 247 259 27 1 2020 20 6 2020

<p>Background: <em>Scoparia dulcis</em> Linn. is reported to be used by women of Assam and Arunachal Pradesh in northeast India for treating menstrual disorders. <em>Scoparia dulcis</em> contains compounds that bind with estrogen receptors (ER&alpha; and ER&beta;) evidenced by increased PCNA in endometrial epithelium.<br /> Methods: Crude extract was orally administered at the dose of 500 mg/kg body weight/day to the female mice (60&ndash;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 (ER&alpha; and ER&beta;). Molecular dynamics (MD) simulations of the best interacting compound was done using gromacs.<br /> Results: The results showed cell proliferation in the uterine endometrium evidenced by PCNA. Two phytocompounds, Octadecanoic acid and methyl stearate showed binding affinity with ER&alpha; and ER&beta;.<br /> Conclusion: <em>Scoparia dulcis</em> contains compounds having binding affinity with ER&alpha; and ER&beta;. The present study is the first report on compounds from <em>Scoparia dulcis</em> showing binding affinity with human estrogen receptors which may have biological effect on female reproduction.</p>