Manuscript Number : IJSRST207137

Identification of Potential Lead Compounds Against Snake Neurotoxin in Rauvolfia Serpentina Through Molecular Docking

Authors(5) :-Y. N. Joshi, Iravati Sodal, Tejaswini Kale, Shraddha Patange, Vinay Gote

In all over the world including India, snake bite is a serious health problem which possess singnificant amount of mortality as well as abnormality. In world Bangarus caeruleus (Indian krait), Naja naja (Indian cobra), Dendroaspis polylepispolylepis (Black mamba),Oxyuranus microlepidotus (Inland taipan) are most venomous snake species belonging from neurotoxin family. Primarily neurotoxins affect the nervous system by strongly binding with receptor such as nicotinic acetylcholine (nAchRs). In modern medicine, immunotherapy is only treatment for snake bite but it has many limitations which includes adverse side effects to the patient. Herbal medicine is another way for snake bite victims which causes less side effects than antivenom therapy. For the identification of lead compounds and to demonstrate the drug activity, In-silico technique is the best option. In current studies, with the help of In-silico tools, we identified various potential lead compounds from Rauvolfia serpentina against snake neurotoxins. In present investigation chemical molecules present in Rauvolfia serpentina were docked with each of four neurotoxin venom protein using HEX software. Most potential lead compounds found after docking are 2,6-dimethoxy benzoquinone and Thebaine.

Authors and Affiliations

Y. N. Joshi
Department of Bioinformatics, Walchand Centre for Biotechnology, WCAS, Solapur, Maharashtra, India
Iravati Sodal
Department of Biotechnology, Walchand Centre for Biotechnology, WCAS, Solapur, Maharashtra, India
Tejaswini Kale
Department of Bioinformatics, Walchand Centre for Biotechnology, WCAS, Solapur, Maharashtra, India
Shraddha Patange
Department of Bioinformatics, Walchand Centre for Biotechnology, WCAS, Solapur, Maharashtra, India
Vinay Gote
Department of Biotechnology, Walchand Centre for Biotechnology, WCAS, Solapur, Maharashtra, India

Neurotoxins, Venom Protein, Rauvolfia Serpentina, Lead, Docking.

  1. Wingert, W. A., & Chan, L. (1988). Rattlesnake bites in southern California and rationale for recommended treatment. Western Journal of Medicine, 148(1), 37.
  2. Gomes A, Bhattacharjee P, Mishra R. Anticancer potential of animal venoms and toxins. Indian J Exp Biol 2010; 48:93-103.
  3. Alirol E, Sharma SK, Bawaskar HS, Kuch U, Chappuis F. Snakebite in South Asia: A review. PloS Negl Trop Dis 2010; 4:e603.
  4. Shashidharamurthy R, Kemparaju K. Region specific neutralization of Indian cobra (Naja naja) venom by polyclonal antibody raised against the eastern regional venom: A comparative study of the venoms from three different geographical distributions. Int Immunopharmacol 2007; 7:619.
  5. Bawaskar, H.S., 2004. Snake venoms and antivenoms: critical supply issues, Journal of the Association of Physicians of India, 52: 11-13.
  6. Meena, A.K., Bansal, P., Kumar, S. (2009). Plants- herbal wealth as a potential source of ayurvedic drugs. Asian J. Trad. Med. 4(4):152-170.
  7. Mello, L.F.; Barcelos, M.G.; Meohas, W.; Pinto, L.W.; Melo, P.A.; Nogueira Neto, N.C.; Smith,Williams, D.J.; Gutiérrez, J.; Calvete, J.J.; Wüster, W.; Ratanabanangkoon, K.; Paiva, O.; Brown, N.I.;Casewell, N.R.; Harrison, R.A.; Rowley, P.D.; et al. Ending the drought: New strategies for improvingthe flow of affordable, effective antivenoms in Asia and Africa. J. Proteom. 2011, 74, 1735–1767.
  8. Goswami, P. K., Samant, M., & Srivastava, R. S. (2014). Snake Venom, Anti-Snake Venom and Potential of Snake Venom. International Journal of Pharmacy and Pharmeceutical Sciences, 6(5): 4-7.
  9. https://www.researchgate.net/publication/10786398_Bioinformatics_for_venom_and toxin_sciences
  10. Magrane M. And the UniProt consortium. UniProt Knowledgebase: a hub of integrated protein data Database, 2011,
  11. Gasteiger E, Hooglan C, Gattiker A, Duvaud S, Wilkins MR, Appel RD et al. The Proteomics Protocols Handbook, Human Press, 2005, 571-607.
  12. Taner Z. Sen, Robert L. Jernigan, Jean Garnier, and Andrzej Kloczkowski, GOR V server for protein secondary structure prediction. Bioinformatics. 2005 Jun 1; 21(11): 2787–2788
  13. Arnold K, Bordoli L, Kopp J, Schwede T. The SWISS-MODEL Workspace: A web-based environment for protein structure homology modelling.2006. Bioinformatics. 22:195-201
  14. Sunghwan Kim, Paul A. Thiessen, Evan E. Bolton, Jie Chen, Gang Fu, Asta Gindulyte, Lianyi Han, Jane He, Siqian He, Benjamin A. Shoemaker, Jiyao Wang, Bo Yu, Jian Zhang, Stephen H. Bryant., PubChem Substance and Compound databases. Nucleic Acids Research, Volume 44, Issue D1, 4 January 2016, Pages D1202–D1213.
  15. G. Macindoe, L. Mavridis, V. Venkatraman, M.-D. Devignes, D.W. Ritchie “Hex Server: an
  16. FFT-based protein docking server powered by graphics processors”. Nucleic Acids Research, 38, W445-W449.2010

Publication Details

Published in : Volume 7 | Issue 1 | January-February 2020
Date of Publication : 2020-01-30
License:  This work is licensed under a Creative Commons Attribution 4.0 International License.
Page(s) : 180-186
Manuscript Number : IJSRST207137
Publisher : Technoscience Academy

Print ISSN : 2395-6011, Online ISSN : 2395-602X

Cite This Article :

Y. N. Joshi, Iravati Sodal, Tejaswini Kale, Shraddha Patange, Vinay Gote, " Identification of Potential Lead Compounds Against Snake Neurotoxin in Rauvolfia Serpentina Through Molecular Docking", International Journal of Scientific Research in Science and Technology(IJSRST), Print ISSN : 2395-6011, Online ISSN : 2395-602X, Volume 7, Issue 1, pp.180-186, January-February-2020.
Journal URL : https://ijsrst.com/IJSRST207137
Citation Detection and Elimination     |      | | BibTeX | RIS | CSV

Article Preview