9th International Science Congress (ISC-2019).  International E-publication: Publish Projects, Dissertation, Theses, Books, Souvenir, Conference Proceeding with ISBN.  International E-Bulletin: Information/News regarding: Academics and Research

An in silico study of lignans as selective estrogen receptor modulators to treat viral infections

Author Affiliations

  • 1Department of Bioinformatics, Stella Maris College, Cathedral Road, Chennai-600086, Tamil Nadu, India
  • 2Department of Biotechnology, Jamal Mohammed College, Tiruchirappalli, India, nargisalmas
  • 3gmail.com

Int. Res. J. Biological Sci., Volume 8, Issue (3), Pages 19-25, March,10 (2019)

Abstract

Viral infections are more predominant and hazardous to human life. Treatment of viral infections poses a serious threat to the economy and the growth of society. Flax is an oil herb that constitutes lignans as the major phytocompounds. These lignans maneuver as phytoestrogens with the capability of modulating the Estrogen Receptor alpha and beta selectively. Explicitly phytoestrogens are cataloged into four main categories, such as Flavonoids, Stilbenes, Coumestans,and Lignans. Molecular docking studies were performed with 238 phytoestrogen compounds which resulted in the appreciable binding of lignans to the isoforms of estrogen receptors alpha and beta. The X ray crystal structures of human estrogen receptor α with an agonist (PDBID-1GWR), human estrogen receptor α with an antagonist (PDBID-3ERT), human estrogen receptor β with an agonist (PDBID-2JJ3) and estrogen receptor β with an antagonist (PDBID-1QKN) were used as targets. The two lignans molecules of flax seeds, Isoariciresinol and lariciresinol interacted well with both the estrogen receptors α and β. Conversely, they were analogous to an agonist with the binding score of -9.78 and -9.08 respectively with a profound binding affinity to the alternative receptors which act as agonists. They also obey the ADMET parameters with no violations of Lipinski's rules and show drug-likeliness. Isoariciresinol and lariciresinol are proficient in modulating the Estrogen Receptor Signaling. Various research papers have proved that viral replication is inhibited by the availability of estrogen to ERβ and hence can be designed as therapeutic leads for treating viral infections.

References

  1. Brinkmann A., Nitsche A. and Kohl C. (2016)., Viral metagenomics on blood-feeding arthropods as a tool for human disease surveillance., International journal of molecular sciences, 17(10), 1743.
  2. Blomström A.L. (2011)., Viral metagenomics as an emerging and powerful tool in veterinary medicine., Veterinary Quarterly, 31(3), 107-114.
  3. Peretz J., Pekosz A., Lane A.P. and Klein S.L. (2015)., Estrogenic compounds reduce influenza A virus replication in primary human nasal epithelial cells derived from female, but not male, donors., American Journal of Physiology-Heart and Circulatory Physiology, 310, L415-L425.
  4. Escribese Maria M. (2008)., Estrogen Inhibits Dendritic Cell Maturation to RNA Viruses., Blood, 112(12), 4574-4584.
  5. Sharma A., Jyoti D.N. and Saxena S. (2014)., Health benefits of phytoestrogens., Int J Adv Res, 2(4), 1024-1030.
  6. Powers C.N. and Setzer W.N. (2015)., A molecular docking study of phytochemical estrogen mimics from dietary herbal supplements., silico pharmacology, 3(1), 4.
  7. Al-Jumaily E.F., Al-Shimary A.O. and Shubbr E.K. (2012)., Extraction and purification of lignan compound from flax seed Linum usitatissimum., Asian Journal of Plant Science & Research, 2(3), 306-312.
  8. Gupta C., Prakash D. and Gupta S. (2016)., Phytoestrogens as pharma foods., Adv Food Technol Nutr Sci Open J, 2(1), 19-31.
  9. Ng H.W., Zhang W., Shu M., Luo H., Ge W., Perkins R. Hong H. (2014)., Competitive molecular docking approach for predicting estrogen receptor subtype α agonists and antagonists., In BMC bioinformatics, 15(11), S4.
  10. Asthana S.O.M.Y.A., Agarwal T.A.R.U.N., Khursheed A. S.I.F. and Dutta D.E.B.E.S.H.I. (2014)., Molecular modeling and QSAR analysis to explore therapeutic potentials of phytoestrogens in Osteoporosis., Int J Pharm Pharm Sci, 6, 239-243.
  11. Chakraborty S., Levenson A.S. and Biswas P.K. (2013)., Structural insights into Resveratrol's antagonist and partial agonist actions on estrogen receptor alpha., BMC structural biology, 13(1), 27.
  12. Santhi N. and Aishwarya S. (2011)., Insights from the molecular docking of withanolide derivatives to the target protein PknG from Mycobacterium tuberculosis., Bioinformation, 7(1), 1.