Journal of Veterinary and Animal Sciences

Volume: 54 Issue: 4

  • Open Access
  • Research Article

Molecular docking approach to identify potential anticancer agents from Sida cordifolia and Eupatorium triplinervis

K. Priyanka Menon1, Bibu John Kariyil 2*, S. Aparna Sivapriya1 and S. Arundhathy Nair1
 

1 MVSc Scholar, Department of Veterinary Pharmacology and Toxicology, College of Veterinary and Animal Sciences, Mannuthy, Thrissur- 680 651
2 Assistant Professor, Kerala Veterinary and Animal Sciences University, Kerala, India
 

*Corresponding author: [email protected], Ph. 9895297842

Year: 2023, Page: 875-881, Doi: https://doi.org/10.51966/jvas.2023.54.4.875-881

Received: March 18, 2022 Accepted: Oct. 27, 2023 Published: Dec. 31, 2023

Abstract

Sida cordifolia and Eupatorium triplinervis have been used traditionally for treatment of various ailments. An in-silico study was carried out to identify the interaction between the selected phytocompounds with B-cell lymphoma 2 (Bcl2). The crystal structure of the Bcl2 protein (PDB Id: 4LXD) of Homo sapiens was used as the receptor. The docking was done with AutoDock V 4.0 using twenty-one ligands from both plants and the binding energy was assessed. The binding energy of various phytocompounds were observed to range from -2.74 Kcal/mol to -7.47 Kcal/mol. The standard compound doxorubicin showed a binding energy of -6.95 Kcal/mol. The compound stigmasterol and sitosterol showed binding energies of -7.15 and -7.47 Kcal/mol respectively. Molecular binding of the compounds was strengthened by hydrogen bonds and hydrophobic interactions. Hence the plant extracts can be used to separate promising lead compounds with anticancer activity.

Keywords: Sida cordifolia, Eupatorium triplinervis, BCl2, autodock

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Cite this article

Menon, K.P., Kariyil, B.J., Sivapriya and S.A., Nair,S.A. 2023. Molecular docking approach to identify potential anticancer agents from Sida cordifolia and Eupatorium triplinervis. J. Vet. Anim. Sci. 54(4):875-881. https://doi.org/10.51966/jvas.2023.54.4.875-881

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