Green Tea Augments Cognitive Function: An In Silico Model


  • Adittya Sabhayasachi Khan Laboratory of Neuroscience and Neurogenetics, Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000, Bangladesh
  • Rezowana Mannan Laboratory of Neuroscience and Neurogenetics, Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000, Bangladesh
  • Laila Anjuman Banu Bangabandhu Sheikh Mujib Medical University, Shahbag, Dhaka-1000, Bangladesh
  • Sohidul Islam Department of Biochemistry & Microbiology, North South University, Bangladesh
  • Mahmud Hossain Laboratory of Neuroscience and Neurogenetics, Department of Biochemistry and Molecular Biology, University of Dhaka, Dhaka-1000, Bangladesh



EGCG (Epigallocatechin Gallate), AChE (Acetylcholinesterase), Cyp2D6 (Cytochrome P4502D6), COX1 (Cyclooxygenase 1), APP1 (Amyloid-β Precursor Protein 1)


Recent scientific advancements have sparked an increasing trend of returning to nature. Scientists worldwide prefer natural medical derivatives over synthetic ones due to fewer side effects. Green tea is abundant in bioactive components and vitamins. Although most components of green tea were thought to be absorbed inadequately by oral administration, they are essential for better health. In the present study, an in silico approach was taken to evaluate the effect or correlation of bioactive components of tea on memory retention, cognitive performance, and prevention of neurodegenerative diseases that result in memory alterations, dementia, and cognitive dysfunction. Furthermore, binding of bioactive components with brain-specific proteins and possible alterations in those proteins due to tea components were illustrated. Four critical brain-specific proteins were evaluated in the present molecular analysis. Cyclooxygenase 1 (COX1), Acetylcholinesterase (AChE), Amyloid-β Precursor Protein (APP1), and Cytochrome P4502D6 (Cyp2D6) were the proteins involved. Their interaction with the bioactive components of green tea was evaluated using computational molecular docking analysis (CMDA). The bioactive molecules were Epigallocatechin gallate (EGCG), L-Theanine, Kaemferol, Coumarin, and Myricetin. The beneficial effect of green tea on memory was prioritized in this study. CMDA has shown possible inhibition of acetylcholinesterase, amyloid-β protein, cyclooxygenase 1, and Cytochrome P4502D6 (Cyp2D6). Bioactive components of green tea passed the blood-brain barrier and influenced short-term memory at low concentrations. Significant dosage or concentration in capsulated form might result in long-term effects since both bioavailability, and concentration of essential components of green tea are scarce.


Abu-Aisheh, M. N. et al. (2019) ‘Coumarin derivatives as acetyl- and butyrylcholinestrase inhibitors: An in vitro, molecular docking, and molecular dynamics simulations study’, Heliyon, 5(4), p. e01552. doi: 10.1016/j.heliyon.2019.e01552.

Amin, K. M. et al. (2021) ‘Design and synthesis of novel coumarin derivatives as potential acetylcholinesterase inhibitors for Alzheimer’s disease’, Bioorganic Chemistry, 110(March), p. 104792. doi: 10.1016/j.bioorg.2021.104792.

Banks, W. A. (2008) ‘The blood brain barrier’, Neuroimmune Pharmacology, pp. 21–38. doi: 10.1007/978-0-387-72573-4_4.

Cabrera, C., Artacho, R. and Giménez, R. (2006) ‘Beneficial Effects of Green Tea—A Review’, Journal of the American College of Nutrition, 25(2), pp. 79–99. doi: 10.1080/07315724.2006.10719518.

Cerbin-Koczorowska, M. et al. (2021) ‘Current view on green tea catechins formulations, their interactions with selected drugs, and prospective applications for various health conditions’, Applied Sciences (Switzerland), 11(11), pp. 1–22. doi: 10.3390/app11114905.

Chu, C. et al. (2017) ‘Green Tea Extracts Epigallocatechin-3-gallate for Different Treatments’, BioMed Research International, 2017. doi: 10.1155/2017/5615647.

Dallakyan, S. and Olson, A. J. (2015) ‘Small-molecule library screening by docking with PyRx’, Methods in Molecular Biology, 1263(January 2015), pp. 243–250. doi: 10.1007/978-1-4939-2269-7_19.

Dassault Systèmes (2020) ‘No Title’, BIOVIA Discovery Studio.

Dhanraj, V. et al. (2018) ‘Myricetin attenuates neurodegeneration and cognitive impairment in Parkinsonism’, Frontiers in Bioscience - Elite, 10(3), pp. 481–494. doi: 10.2741/e835.

Dietz, C. and Dekker, M. (2017) ‘Effect of Green Tea Phytochemicals on Mood and Cognition’, Current Pharmaceutical Design, 23(19), pp. 2876–2905. doi: 10.2174/1381612823666170105151800.

Dvir, H., Sussman, J. . (2010) ‘Acetylcholinesterase’, Recombinant human acetylcholinesterase. doi: 10.2210/pdb3LII/pdb.

Dvir, H. et al. (2010) ‘Acetylcholinesterase: From 3D structure to function’, Chemico-Biological Interactions, 187(1–3), pp. 10–22. doi: 10.1016/j.cbi.2010.01.042.

El-kott, A. F. et al. (2020) ‘Kaempferol protects against cadmium chloride-induced hippocampal damage and memory deficits by activation of silent information regulator 1 and inhibition of poly (ADP-Ribose) polymerase-1’, Science of the Total Environment, 728, pp. 1–13. doi: 10.1016/j.scitotenv.2020.138832.

Fenker, D. B. et al. (2005) ‘Recapitulating emotional context: Activity of amygdala, hippocampus and fusiform cortex during recollection and familiarity’, European Journal of Neuroscience, 21(7), pp. 1993–1999. doi: 10.1111/j.1460-9568.2005.04033.x.

Fernández, P. L. et al. (2002) ‘Study of catechin and xanthine tea profiles as geographical tracers’, Journal of Agricultural and Food Chemistry, 50(7), pp. 1833–1839. doi: 10.1021/jf0114435.

Garcia-Osta, A. and Alberini, C. M. (2009) ‘Amyloid beta mediates memory formation’, Learning and Memory, 16(4), pp. 267–272. doi: 10.1101/lm.1310209.

Haam, J. and Yakel, J. L. (2017) ‘Cholinergic modulation of the hippocampal region and memory function’, Journal of Neurochemistry, 142, pp. 111–121. doi: 10.1111/jnc.14052.

Heysieattalab, S. et al. (2021) ‘Non-selective COX inhibitors impair memory formation and short-term but not long-term synaptic plasticity’, Naunyn-Schmiedeberg’s Archives of Pharmacology, 394(9), pp. 1879–1891. doi: 10.1007/s00210-021-02092-4.

Hornick, A. et al. (2011) ‘The coumarin scopoletin potentiates acetylcholine release from synaptosomes, amplifies hippocampal long-term potentiation and ameliorates anticholinergic- and age-impaired memory’, Neuroscience, 197, pp. 280–292. doi: 10.1016/j.neuroscience.2011.09.006.

Komes, D. et al. (2010) ‘Green tea preparation and its influence on the content of bioactive compounds’, Food Research International, 43(1), pp. 167–176. doi: 10.1016/j.foodres.2009.09.022.

Lee, S., Ha, Y. (2011) ‘Human Amyloid Precursor-Like Protein 1’, Crystal Structure of E2 domain of Human Amyloid Precursor-Like Protein 1. doi: 10.2210/pdb3PMR/pdb.

Lee, J., Chambers, D. H. and Chambers IV, E. (2014) ‘A comparison of the flavor of green teas from around the world’, Journal of the Science of Food and Agriculture, 94(7), pp. 1315–1324. doi: 10.1002/jsfa.6413.

Lee, S. et al. (2011) ‘The E2 domains of APP and APLP1 share a conserved mode of dimerization’, Biochemistry, 50(24), pp. 5453–5464. doi: 10.1021/bi101846x.

Lei, Y. et al. (2012) ‘In vivo investigation on the potential of galangin, kaempferol and myricetin for protection of d-galactose-induced cognitive impairment’, Food Chemistry, 135(4), pp. 2702–2707. doi: 10.1016/j.foodchem.2012.07.043.

Lorenz, M. (2013) ‘Cellular targets for the beneficial actions of tea polyphenols 1-4’, American Journal of Clinical Nutrition, 98(6), pp. 1642–1650. doi: 10.3945/ajcn.113.058230.

Lu, Houyuan et al. (2016) ‘Earliest tea as evidence for one branch of the Silk Road across the Tibetan Plateau’, Scientific Reports, 6(December 2015), pp. 31–34. doi: 10.1038/srep18955.

Massaad, C. A. et al. (2009) ‘Overexpression of SOD-2 reduces hippocampal superoxide and prevents memory deficits in a mouse model of Alzheimer’s disease’, Proceedings of the National Academy of Sciences of the United States of America, 106(32), pp. 13576–13581. doi: 10.1073/pnas.0902714106.

Miciaccia, M., Scilimati, A. (2021) ‘Cyclooxygenase’, Human COX-1 Crystal Structure. doi: 10.2210/pdb6Y3C/pdb.

Miciaccia, M. et al. (2021) ‘Three-dimensional structure of human cyclooxygenase (hCOX)-1’, Scientific Reports, 11(1), pp. 1–19. doi: 10.1038/s41598-021-83438-z.

Miksys, S. L. and Tyndale, R. F. (2002) ‘Drug-metabolizing cytochrome P450s in the brain’, Journal of Psychiatry and Neuroscience, 27(6), pp. 406–415.

Müller, U. C. and Zheng, H. (2012) ‘Physiological functions of APP family proteins’, Cold Spring Harbor Perspectives in Medicine, 2(2), pp. 1–17. doi: 10.1101/cshperspect.a006288.

Peng, L. et al. (2008) ‘An improved HPLC method for simultaneous determination of phenolic compounds, purine alkaloids and theanine in Camellia species’, Journal of Food Composition and Analysis, 21(7), pp. 559–563. doi: 10.1016/j.jfca.2008.05.002.

Penta, A. et al. (2014) ‘De novo design and in-silico studies of novel 1-phenyl-2,3,4,9-tetrahydro- 1H-pyrido[3,4-b]indole-3-carboxylicacid derivatives as HIV-1 reverse transcriptase inhibitors’, Medicinal Chemistry Research, 23(8), pp. 3662–3670. doi: 10.1007/s00044-014-0945-9.

Pervin, M. et al. (2018) ‘Beneficial Effects of Green Tea Catechins on Neurodegenerative Diseases’, Molecules, 23(6), pp. 1–17. doi: 10.3390/molecules23061297.

Pervin, M. et al. (2019) ‘Function of green tea catechins in the brain: Epigallocatechin gallate and its metabolites’, International Journal of Molecular Sciences, 20(15), pp. 1–12. doi: 10.3390/ijms20153630.

Rahmani, A. H. et al. (2015) ‘Implications of green tea and its constituents in the prevention of cancer via the modulation of cell signalling pathway’, BioMed Research International, 2015. doi: 10.1155/2015/925640.

Ramezani, M. et al. (2016) ‘Myricetin protects hippocampal CA3 pyramidal neurons and improves learning and memory impairments in rats with Alzheimer’s disease’, Neural Regeneration Research, 11(12), pp. 1976–1980. doi: 10.4103/1673-5374.197141.

Rowland, P., Bridges, A. . (2006) ‘Cytochrome P450 2D6’, Crystal Structure of Human Cytochrome P450. doi: 10.2210/pdb2F9Q/pdb.

Rowland, P. et al. (2006) ‘Crystal structure of human cytochrome P450 2D6’, Journal of Biological Chemistry, 281(11), pp. 7614–7622. doi: 10.1074/jbc.M511232200.

Schimidt, H. L. et al. (2021) ‘Strength training or green tea prevent memory deficits in a β-amyloid peptide-mediated Alzheimer’s disease model’, Experimental Gerontology, 143(May 2020), pp. 1–7. doi: 10.1016/j.exger.2020.111186.

Shohamy, D. and Adcock, R. A. (2010) ‘Dopamine and adaptive memory’, Trends in Cognitive Sciences, 14(10), pp. 464–472. doi: 10.1016/j.tics.2010.08.002.

Stegemann, J. P. (2007) ‘The role of antioxidant versus pro-oxidant effects of green tea polyphenols in cancer prevention’, Tissue Engineering, 23(1), pp. 1–7. doi: 10.1002/mnfr.201000641.Antioxidant.

Vauzour, D. et al. (2008) ‘The neuroprotective potential of flavonoids: A multiplicity of effects’, Genes and Nutrition, 3(3–4), pp. 115–126. doi: 10.1007/s12263-008-0091-4.

Wang, B. et al. (2017) ‘Myricetin ameliorates scopolamine-induced memory impairment in mice via inhibiting acetylcholinesterase and down-regulating brain iron’, Biochemical and Biophysical Research Communications, 490(2), pp. 336–342. doi: 10.1016/j.bbrc.2017.06.045.

Yasmin, T. et al. (2017) ‘Interaction of Quercetin of Onion with Axon Guidance Protein Receptor, NRP-1 Plays Important Role in Cancer Treatment: An In Silico Approach’, Interdisciplinary Sciences: Computational Life Sciences, 9(2), pp. 184–191. doi: 10.1007/s12539-015-0137-4.

Younus, H. (2018) ‘Younus, H. (2018). Therapeutic potentials of superoxide dismutase. International journal of health sciences, 12(3), 88.‏’, International journal of health sciences, 12(3), pp. 88–93. Available at:

Yuan, S., Chan, H. C. S. and Hu, Z. (2017) ‘Using PyMOL as a platform for computational drug design’, Wiley Interdisciplinary Reviews: Computational Molecular Science, 7(2). doi: 10.1002/wcms.1298.

Zhang, Y. et al. (2018) ‘Green tea polyphenols ameliorate ethanol-induced spatial learning and memory impairments by enhancing hippocampus NMDAR1 expression and CREB activity in rats’, NeuroReport, 29(18), pp. 1564–1570. doi: 10.1097/WNR.0000000000001152.



How to Cite

Khan, A. S., Mannan, R., Banu, L. A., Islam, S., & Hossain, M. (2022). Green Tea Augments Cognitive Function: An In Silico Model. Bioresearch Communications - (BRC), 8(2), 1113–1123.



Original Article