• PREMJANU N Department of Biochemistry, Sathyabama Dental College and Hospital, Chennai, Tamil Nadu, India.
  • CHELLAM JAYNTHY Department of Bioinformatics, Sathyabama Dental College and Hospital, Chennai, Tamil Nadu, India.


Objective: This works aims at analyzing the potential of Naringenin (NAR) as an antidepressant drug by computational methods.

Methods: The database Protein Data Bank and PubChem were used to retrieve the three-dimensional structures of the protein and the compound. The software Discovery Studio was used to study the interactions between the protein and the ligand.

Results: NAR, one of the flavanone, which has strong anti-inflammatory and antioxidant activities, is studied for its antidepressant and neuroprotective effects through in silico approach. Interaction study and pharmacophore analysis using Discovery Studio show that the molecule NAR interacts with the protein at different sites. The interaction has a maximum dock score at position B.

Conclusion: The compound NAR shows to have antidepressant quality from the computational study. The docking studies show promising result that NAR can be explored further as a potential drug.

Keywords: Naringenin, Antidepression, Neuroprotection, Pharmacophore, Docking


1. Hritcu L, Ionita R, Postu PA, Gupta GK, Turkez H, Lima TC, et al. Antidepressant flavonoids and their relationship with oxidative stress. Oxid Med Cell Longev 2017;2017:5762172.
2. Krishnan V, Nestler EJ. The molecular neurobiology of depression. Nature 2008;455:894-902.
3. Li YC, Shen JD, Li J, Wang R, Jiao S, Yi LT. Chronic treatment with baicalin prevents the chronic mild stress-induced depressive-like behavior: Involving the inhibition of cyclooxygenase-2 in rat brain. Prog Neuropsychopharmacol Biol Psychiatry 2013;40:138-43.
4. Hertog MG, Hollman PC, Katan MB, Kromhout D. Intake of potentially anticarcinogenic flavonoids and their determinants in adults in The Netherlands. Nutr Cancer 1993;20:21-9.
5. Saija A, Scalese M, Lanza M, Marzullo D, Bonina F, Castelli F. Flavanoids as antioxidant agents: Importance of their interaction with biomembranes. Free Radic Biol Med 1995;19:481-6.
6. Wu LH, Lin C, Lin HY, Liu YS, Wu CY, Tsai CF, et al. Naringenin suppresses neuroinflammatory responses through inducing suppressor of cytokine signaling 3 expression. Mol Neurobiol 2016;53:1080-91.
7. Koopman F, Beekwilder J, Crimi B, van Houwelingen A, Hall RD, Bosch D, et al. De novo production of the flavanoid naringenin in engineered Saccharomyces cerevisiae. Microb Cell Fact 2012;11:155-69.
8. Salehi B, Fokou PV, Sharifi-Rad M, Zucca P, Pezzani R, Martins N, et al. The therapeutic potential of naringenin: A review of clinical trials. Pharmaceuticals 2019;12:11-28.
9. Pinho-Ribeiro FA, Zarpelon AC, Fattori V, Manchope MF, Mizokami SS, Casagrande R, et al. Naringenin reduces inflammatory pain in mice. Neuropharmacology 2016;105:508-19.
10. Yi LT, Li J, Li HC, Su DX, Quan XB, He XC, et al. Antidepressant-like behavioral, neurochemical and neuroendocrine effects of naringenin in the mouse repeated tail suspension test. Prog Neuropsychopharmacol Biol Psychiatry 2012;39:175-81.
11. Yi LT, Liu BB, Li J, Luo L, Liu Q, Geng D, et al. BDNF signaling is necessary for the antidepressant-like effect of naringenin. Prog Neuropsychopharmacol Biol Psychiatry 2014;48:135-41.
12. Cavia-Saiz M, Busto MD, Pilar-Izquierdo MC, Ortega N, Perez- Mateos M, Muñiz P. Antioxidant properties, radical scavenging activity and biomolecule protection capacity of flavonoid naringenin and its glycoside naringenin: A comparative study. J Sci Food Agric 2010;90:1238-44.
13. Sousa SF, Ribeiro AJ, Coimbra JT, Neves RP, Martins SA, Moorthy NS, et al. Ramos, protein-ligand docking in the new millennium--a retrospective of 10 years in the field. Curr Med Chem 2013;20:2296- 314.
14. Chellam J, Deepa IR. Computational biological study of aromatase inhibitors docking with human placental aromatase cytochrome P450. Int J Pharm Pharm Sci 2016;8:93-97.
15. Usha S, Jaynthy C, Christopher CK. Synthesis,characterisation and In-Silico study of Vanillyl Mandelic Acid. Int J Pharm Clin Res 2015;7:458-61.
16. Sousa SF, Fernandes PA, Ramos MJ. Protein ligand docking: Current status and future challenges. Proteins 2006;65:15-26.
17. Grosdidier S, Fernández-Recio JF. Docking and scoring applications to drug discovery in the interatomics era. Exp Opin Drug Discov 2009;4:673-86.
18. Muegge I, Rarey M. Small molecule docking and scoring. Rev Comput Chem 2001;17:1-60.
19. Kitchen DB, Decornez H, Furr JR, Bajorath J. Docking and scoring in virtual screening for drug discovery: Methods and applications. Nat Rev Drug Discov 2004;3:935-48.
20. Mukesh B, Rakesh K. Molecular docking a review. Int J Res Ayurveda Pharm 2011;2:1746-51.
21. Hornak V, Dvorsky R, Sturdik E. Receptor-ligand interactions and molecular modeling. Gen Physiol Biophys 1999;18:231-48.
22. Dean PM. Molecular Foundations of Drug Receptor Interaction. Cambridge: Cambridge University Press; 1987. p. 1-34.
23. Bamborough P, Cohen FE. Modeling protein ligand complexes. Curr Opin Struc Biol 1996;6:236-41.
24. Momany FA, Rone RJ. Validation of the general purpose QUANTA 3.2/ CHARMm force field. Comp Chem 1992;13:888-900.
25. Guner OF. Pharmacophore Perception, Development, and Use in Drug Design. La Jolla, CA: International University Line; 2000.
26. Wermuth CG, Ganellin CR, Lindberg P, Mitscher LA. Glossary of terms used in medicinal chemistry. Pure Appl Chem 1998;70:1129-43.
27. Sawsan AF, Hassan D, Habib M, Amin AI, Kassim SK, Mohamed AS. Biochemical studies of hippocampal gene expression of brain-derived neurotropic factor and toll-like receptor-4 in diabetic rats exposed to chronic stress: Effects of antidepressant drugs. Asian J Pharm Clin Res 2018;11:271-7.
28. Shanmugapriyan S, Jaikumar S, Viswanathan S, Parimala K, Rajesh M. Effect of flavone and its monohydroxy derivatives on animal models of depression in Swiss albino mice. Asian J Pharm Clin Res 2019;12:513-7.
20 Views | 44 Downloads
How to Cite
N, P., and C. JAYNTHY. “COMPUTATIONAL ANALYSIS OF NARINGENIN AS AN ANTIDEPRESSANT”. Asian Journal of Pharmaceutical and Clinical Research, Vol. 13, no. 12, Dec. 2020, pp. 109-12, doi:10.22159/ajpcr.2020.v13i12.38367.
Original Article(s)