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Molecular docking studies to identify secondary metabolites present in Ashwagandharishta and their effectiveness towards memory related disorders

Author Affiliations

  • 1Department of Chemistry, Faculty of Science, University of Kelaniya, Kelaniya 11600, Sri Lanka
  • 2Department of Chemistry, Faculty of Science, University of Kelaniya, Kelaniya 11600, Sri Lanka

Res.J.chem.sci., Volume 10, Issue (1), Pages 11-16, February,18 (2020)

Abstract

Ashwagandharishta is a famous Ayurveda medicine (in Asian countries) that is used to treat psychiatric conditions, dullness, memory related diseases, anxiety, schizophrenia sluggishness, epilepsy, depression and etc. Memory defects are closely allied with imperfect cholinergic neurotransmission. Repairing mechanisms for theses impaired processes afford promising treatment strategies for these kinds of disorders. Alpha-7 nicotinic acetylcholine receptor is a sub type of nicotinic acetylcholine receptor which has been recognized as one of the most useful drug target for the treatment of nervous system associated disorders. Molecular docking analyses have been carried out to detect any possible secondary metabolites present in Ashwagandharishta that could act as agonists of alpha-7 nicotinic acetylcholine receptor. According these computational findings, it has been found that two phytochemicals; anaferine and anahygrineexhibit promising agonistic activity towards the receptor. Thus anaferine and anahygrine have high possibility to serve as alpha-7nAChR agonists which demonstrate potential drug action towards memory related disorders.

References

  1. Wilson G.G. (2001)., Inaugural Article: Acetylcholine receptor channel structure in the resting, open, and desensitized states probed with the substituted-cysteine-accessibility method., Proceedings of the National Academy of Sciences, 98(3), 1241-1248.
  2. Kesarwani K. and Gupta R. (2013)., Bioavailability enhancers of herbal origin: An overview., Asian Pacific Journal of Tropical Biomedicine, 3(4), 253-266.
  3. Elsakka M., Grigorescu E., Stănescu U. and Dorneanu V. (1990)., New data referring to chemistry of Withania somnifera species., Revista medico-chirurgicala a Societatii de Medici si Naturalisti din Iasi, 94(2), 385-387.
  4. Taly A., Corringer P.J., Guedin D., Lestage P. and Changeux J.P. (2009)., Nicotinic receptors: allosteric transitions and therapeutic targets in the nervous system., Nature reviews Drug discovery, 8(9), 733-750.
  5. Davies P. and Maloney A.J.F. (1976)., Selective loss of central cholinergic neurons in Alzheimer, The Lancet, 25(2), 1403.
  6. Arneric S.P., Holladay M. and Williams M. (2007)., Neuronal nicotinic receptors: A perspective on two decades of drug discovery research., Biochemical Pharmacology, 74(8), 1092-1101.
  7. Norman G.J., Morris J.S., Karelina K., Weil Z.M., Zhang N., Al-Abed Y. and DeVries A.C. (2011)., Cardiopulmonary arrest and resuscitation disrupts cholinergic anti-inflammatory processes: a role for cholinergic α7 nicotinic receptors., Journal of Neuroscience, 31(9), 3446-3452.
  8. Olincy A., Harris J.G., Johnson L.L., Pender V., Kongs S., Allensworth D. and Stevens J.O. (2006)., Proof-of-concept trial of an α7 nicotinic agonist in schizophrenia., Archives of General Psychiatry, 63(6), 630-638.
  9. Dasgupta P., Rizwani W., Pillai S., Kinkade R., Kovacs M., Rastogi S. and Haura E. (2009)., Nicotine induces cell proliferation, invasion and epithelial‐mesenchymal transition in a variety of human cancer cell lines., International Journal of Cancer, 124(1), 36-45.
  10. Wang J., Lu Z., Fu X., Zhang D., Yu L., Li N. and Li L. (2017)., Alpha-7 Nicotinic Receptor Signaling Pathway Participates in the Neurogenesis Induced by ChAT-Positive Neurons in the Subventricular Zone., Translational Stroke Research, 8(5), 484-493.
  11. Levin E.D., McClernon F.J. and Rezvani A.H. (2006)., Nicotinic effects on cognitive function: Behavioral characterization, pharmacological specification, and anatomic localization., Psychopharmacology, 184, 523-539.
  12. Brejc K., van Dijk W.J., Klaassen R.V., Schuurmans M., van der Oost, J., Smit A.B. and Sixma T.K. (2001)., Crystal structure of an ACh-binding protein reveals the ligand-binding domain of nicotinic receptors., Nature, 411(6835), 269-276.
  13. Pandithavidana D.R. and Jayawardana S.B. (2019)., Comparative Study of Antioxidant Potential of Selected Dietary Vitamins; Computational Insights., Molecules, 24(9), 1646.
  14. Hibbs R.E., Sulzenbacher G., Shi J., Talley T.T., Conrod S., Kem W.R. and Bourne Y. (2009)., Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal α7 nicotinic acetylcholine receptor., The EMBO journal, 28(19), 3040-3051.
  15. Steffen C. (2010)., Autodock4 and AutoDockTools4: automated docking with selective receptor flexiblity., Journal of computational chemistry, 31, 2967-2970.
  16. Sanner M.F. (1999)., Python: A Programming Language for Software Integration and Development., J. Mol. Graphics Mod., 17, 57-61.