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In silico and in vivo analysis of binding affinity of estrogens with estrogen receptor alpha in Channa punctatus (Bloch)

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Abstract

In the present study, potential interaction between natural estrogens i.e., estrone (E1), estradiol (E2) and estriol (E3) with human estrogen receptor (hER) was seen by in silico study. Molecular docking studies were carried out using Glide and ligand docking program. The binding affinity, assessed by Glide score, indicates stronger interaction of E3 with hER followed by E2 and E1. Real-time PCR analysis of vga and vgb expressions, in the liver of different groups of Channa punctatus injected with the three natural estrogens, supported the docking analysis and indicated E3 to be the most potent estrogen in inducing vga and vgb expressions followed by E2 and E1. This study lays the groundwork for studying interactions of various estrogenic substances with different estrogen receptors and to assess estrogenicity of various chemicals which are being released into the environment by employing molecular docking technique.

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Authors and Affiliations

  1. Department of Zoology, University of Delhi, Delhi, 110007, India

    S. Pipil, V. Kumar, L. Sharma & N. Sehgal

  2. Department of Zoology, Hindu College, University of Delhi, Delhi, 110007, India

    V. S. Rawat

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  1. S. Pipil
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  2. V. Kumar
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  3. V. S. Rawat
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  4. L. Sharma
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  5. N. Sehgal
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Correspondence to N. Sehgal.

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Pipil, S., Kumar, V., Rawat, V.S. et al. In silico and in vivo analysis of binding affinity of estrogens with estrogen receptor alpha in Channa punctatus (Bloch). Fish Physiol Biochem 41, 31–40 (2015). https://doi.org/10.1007/s10695-014-0003-z

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  • DOI: https://doi.org/10.1007/s10695-014-0003-z

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